chempirical

2-Heptylbenzimidazole

C14H20N2CAS 5851-49-0216.33 g/mol

Open in Covalent MOL file
NNH

Properties

Molecular formula
C14H20N2
Molar mass
216.33 g/mol
Exact mass
216.1626 Da
logP
4.08Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5851-49-0
SMILES
CCCCCCCC1=NC2=CC=CC=C2N1
InChIKey
RJRKURJUHLRUPD-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2/c1-2-3-4-5-6-11-14-15-12-9-7-8-10-13(12)16-14/h7-10H,2-6,11H2,1H3,(H,15,16)

Weigh it out

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

Work with 2-Heptylbenzimidazole

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

Similar compounds

2-Pentyl-1H-benzimidazole5851-46-797 % similar 2-Propyl-1H-benzimidazole5465-29-275 % similar 1H-Benzimidazole-2-propanol2403-66-961 % similar 2-Ethylbenzimidazole1848-84-659 % similar 1H-Benzimidazole-2-methanol4856-97-750 % similar 2-(Chloromethyl)benzimidazole4857-04-950 % similar Dibazole621-72-749 % similar Decylbenzene104-72-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine128740-14-7 3-Amino-8-benzyl-8-azabicyclo[3.2.1]octane (3-exo)-76272-36-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook