Imidocarb

C₁₉H₂₀N₆OCAS 27885-92-3348.41 g/mol

Open in Covalent MOL file

Amidine

Properties

Molecular formula: C₁₉H₂₀N₆O
Molar mass: 348.41 g/mol
Exact mass: 348.1699 Da
logP: 2.04Crippen estimate
Polar surface area: 93.4 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H361 Suspected of damaging fertility or the unborn child97.2% of notifiers
H370 Causes damage to organs97.2% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure97.2% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P280, P301+P317, P308+P316, P318, P319, P321, P330, P405, P501

Identifiers

CAS number

27885-92-3

SMILES

OC(=Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1

InChIKey

SCEVFJUWLLRELN-UHFFFAOYSA-N

InChI

InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Urea, N,N′-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-
Carbanilide, 3,3′-di-2-imidazolin-2-yl-
N,N′-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
3,3′-Bis-(2-imidazolin-2-yl)carbanilide
Piro-stop
1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea

Work with Imidocarb

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Imidocarb dipropionate55750-06-6Salt

Similar compounds

2-Phenylimidazoline936-49-248 % similar 1,3-Diphenylurea102-07-844 % similar Forchlorfenuron68157-60-840 % similar Triclocarban101-20-236 % similar 2-Imidazolidinone120-93-434 % similar N,N'-Diphenylbenzamidine2556-46-934 % similar Clonidine4205-90-734 % similar Gw48696823-69-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia