N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide

C22H16N4O — CID 35279688

IUPACN-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H16N4O/c23-14-16-10-12-18(13-11-16)21(27)25-22-24-19-8-4-5-9-20(19)26(22)15-17-6-2-1-3-7-17/h1-13H,15H2,(H,24,25,27)
InChIKeyFHXISSHVKQZDSD-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.21
Rot. Bonds4

About N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide

N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide (PubChem CID 35279688) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
PubChem CID35279688
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC NameN-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H16N4O/c23-14-16-10-12-18(13-11-16)21(27)25-22-24-19-8-4-5-9-20(19)26(22)15-17-6-2-1-3-7-17/h1-13H,15H2,(H,24,25,27)
InChIKeyFHXISSHVKQZDSD-UHFFFAOYSA-N
XLogP4.21
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
CID 19577208
4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359745
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
1-(4-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]thiourea
CID 139841677
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
CID 71841253
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide?
The IUPAC name of N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide (CID 35279688) is N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide?
The canonical SMILES for N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide?
The InChIKey is FHXISSHVKQZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c23-14-16-10-12-18(13-11-16)21(27)25-22-24-19-8-4-5-9-20(19)26(22)15-17-6-2-1-3-7-17/h1-13H,15H2,(H,24,25,27).
What are the key properties of N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide?
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide has a molecular weight of 352.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide is sourced from PubChem (CID 35279688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).