4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide

C17H14N4O — CID 27148276

IUPAC4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
SMILESCCn1c(NC(=O)c2ccc(C#N)cc2)nc2ccccc21
InChIInChI=1S/C17H14N4O/c1-2-21-15-6-4-3-5-14(15)19-17(21)20-16(22)13-9-7-12(11-18)8-10-13/h3-10H,2H2,1H3,(H,19,20,22)
InChIKeyZKGZZOMCEGRBTB-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.18
Rot. Bonds3

About 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide

4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide (PubChem CID 27148276) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
PubChem CID27148276
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
SMILESCCn1c(NC(=O)c2ccc(C#N)cc2)nc2ccccc21
InChIInChI=1S/C17H14N4O/c1-2-21-15-6-4-3-5-14(15)19-17(21)20-16(22)13-9-7-12(11-18)8-10-13/h3-10H,2H2,1H3,(H,19,20,22)
InChIKeyZKGZZOMCEGRBTB-UHFFFAOYSA-N
XLogP3.18
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 167779974

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide (CID 27148276) is 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide is CCn1c(NC(=O)c2ccc(C#N)cc2)nc2ccccc21.
What is the InChIKey of 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide?
The InChIKey is ZKGZZOMCEGRBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-21-15-6-4-3-5-14(15)19-17(21)20-16(22)13-9-7-12(11-18)8-10-13/h3-10H,2H2,1H3,(H,19,20,22).
What are the key properties of 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide?
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide has a molecular weight of 290.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 27148276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).