N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide

C24H21N5O — CID 142860950

IUPACN-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
SMILESCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CNc3ccccc3)ccc21
InChIInChI=1S/C24H21N5O/c1-2-29-22-13-10-18(16-26-20-6-4-3-5-7-20)14-21(22)27-24(29)28-23(30)19-11-8-17(15-25)9-12-19/h3-14,26H,2,16H2,1H3,(H,27,28,30)
InChIKeyXIUZRWAPSGOUAD-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.79
Rot. Bonds6

About N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide

N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide (PubChem CID 142860950) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
PubChem CID142860950
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC NameN-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
SMILESCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CNc3ccccc3)ccc21
InChIInChI=1S/C24H21N5O/c1-2-29-22-13-10-18(16-26-20-6-4-3-5-7-20)14-21(22)27-24(29)28-23(30)19-11-8-17(15-25)9-12-19/h3-14,26H,2,16H2,1H3,(H,27,28,30)
InChIKeyXIUZRWAPSGOUAD-UHFFFAOYSA-N
XLogP4.79
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007
N-[1-(3-amino-3-oxopropyl)-5-(methylamino)benzimidazol-2-yl]-4-cyanobenzamide
CID 44588584
4-cyano-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]benzamide
CID 126738073
4-cyano-N-[5-[(cyclohexylamino)methyl]-1-[3-(4-methylpiperazin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 58742754
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
4-(anilinomethyl)benzonitrile
CID 11148468
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
4-cyano-N-[5-[[cyclopentylmethyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 44589642

Frequently Asked Questions

What is the IUPAC name of N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide?
The IUPAC name of N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide (CID 142860950) is N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide.
What is the SMILES notation for N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide?
The canonical SMILES for N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide is CCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CNc3ccccc3)ccc21.
What is the InChIKey of N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide?
The InChIKey is XIUZRWAPSGOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-2-29-22-13-10-18(16-26-20-6-4-3-5-7-20)14-21(22)27-24(29)28-23(30)19-11-8-17(15-25)9-12-19/h3-14,26H,2,16H2,1H3,(H,27,28,30).
What are the key properties of N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide?
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide has a molecular weight of 395.47 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide is sourced from PubChem (CID 142860950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).