N-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N′-(4-cyanophenyl)urea

C₂₁H₂₂N₆OCAS 1095173-27-5374.45 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₂₁H₂₂N₆O
Molar mass: 374.45 g/mol
Exact mass: 374.1855 Da
logP: 3.60Crippen estimate
Polar surface area: 100.3 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3
Stereocentres: R, Rin SMILES atom order

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

1095173-27-5

SMILES

CN1CC[C@@H](N=C(O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1

InChIKey

SFNSLLSYNZWZQG-VQIMIIECSA-N

InChI

InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1

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Names and synonyms

3 names

Urea, N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N′-(4-cyanophenyl)-
PF 04449913
Glasdegib

Work with N-[(2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methyl-4-piperidinyl]-N′-(4-cyanophenyl)urea

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-(4-Piperidinyl)-1H-benzimidazole38385-95-434 % similar α-Methyl-1H-benzimidazole-2-methanol19018-24-731 % similar 2-Isopropylbenzimidazole5851-43-431 % similar

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

Elsewhere

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