3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide

C16H12N4O — CID 110728522

IUPAC3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2cc(NC(=O)c3cccc(C#N)c3)ccc21
InChIInChI=1S/C16H12N4O/c1-20-10-18-14-8-13(5-6-15(14)20)19-16(21)12-4-2-3-11(7-12)9-17/h2-8,10H,1H3,(H,19,21)
InChIKeyLUBLVFZZSINGCM-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.70
Rot. Bonds2

About 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide

3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide (PubChem CID 110728522) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
PubChem CID110728522
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
SMILESCn1cnc2cc(NC(=O)c3cccc(C#N)c3)ccc21
InChIInChI=1S/C16H12N4O/c1-20-10-18-14-8-13(5-6-15(14)20)19-16(21)12-4-2-3-11(7-12)9-17/h2-8,10H,1H3,(H,19,21)
InChIKeyLUBLVFZZSINGCM-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

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3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
(1-methylbenzimidazol-5-yl)urea
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3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
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CID 62328524

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide (CID 110728522) is 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide is Cn1cnc2cc(NC(=O)c3cccc(C#N)c3)ccc21.
What is the InChIKey of 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide?
The InChIKey is LUBLVFZZSINGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-20-10-18-14-8-13(5-6-15(14)20)19-16(21)12-4-2-3-11(7-12)9-17/h2-8,10H,1H3,(H,19,21).
What are the key properties of 3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide?
3-cyano-N-(1-methylbenzimidazol-5-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-5-yl)benzamide is sourced from PubChem (CID 110728522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).