3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide

C16H12N4O — CID 35280472

IUPAC3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(C#N)c2)nc2ccccc21
InChIInChI=1S/C16H12N4O/c1-20-14-8-3-2-7-13(14)18-16(20)19-15(21)12-6-4-5-11(9-12)10-17/h2-9H,1H3,(H,18,19,21)
InChIKeyLCIJKOKBSRYNHW-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.70
Rot. Bonds2

About 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide

3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 35280472) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID35280472
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCn1c(NC(=O)c2cccc(C#N)c2)nc2ccccc21
InChIInChI=1S/C16H12N4O/c1-20-14-8-3-2-7-13(14)18-16(20)19-15(21)12-6-4-5-11(9-12)10-17/h2-9H,1H3,(H,18,19,21)
InChIKeyLCIJKOKBSRYNHW-UHFFFAOYSA-N
XLogP2.70
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
3-cyano-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 24634772
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
CID 110728522
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
3-cyano-N-[1-(3-methoxypropyl)-6-(piperidine-4-carbonyl)benzimidazol-2-yl]benzamide
CID 67045265
ethyl (E)-3-[2-[(3-cyanobenzoyl)amino]-1-propylbenzimidazol-5-yl]prop-2-enoate
CID 139444684
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide (CID 35280472) is 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide is Cn1c(NC(=O)c2cccc(C#N)c2)nc2ccccc21.
What is the InChIKey of 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is LCIJKOKBSRYNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-20-14-8-3-2-7-13(14)18-16(20)19-15(21)12-6-4-5-11(9-12)10-17/h2-9H,1H3,(H,18,19,21).
What are the key properties of 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide?
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 276.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 35280472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).