4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile

C23H24N4O — CID 57478917

IUPAC4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile
SMILESCn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)C3(C)CCCC3)ccc21
InChIInChI=1S/C23H24N4O/c1-23(11-3-4-12-23)22(28)17-7-10-20-19(13-17)26-21(27(20)2)15-25-18-8-5-16(14-24)6-9-18/h5-10,13,25H,3-4,11-12,15H2,1-2H3
InChIKeyKXKTWEICEWRQIE-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.82
Rot. Bonds5

About 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile

4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile (PubChem CID 57478917) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile
PubChem CID57478917
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile
SMILESCn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)C3(C)CCCC3)ccc21
InChIInChI=1S/C23H24N4O/c1-23(11-3-4-12-23)22(28)17-7-10-20-19(13-17)26-21(27(20)2)15-25-18-8-5-16(14-24)6-9-18/h5-10,13,25H,3-4,11-12,15H2,1-2H3
InChIKeyKXKTWEICEWRQIE-UHFFFAOYSA-N
XLogP4.82
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-methyl-5-nitrobenzimidazol-2-yl)methylamino]benzonitrile
CID 11034153
ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]amino]propanoate
CID 118041670
2-[(4-cyanoanilino)methyl]-1-methyl-N-pyridin-2-ylbenzimidazole-5-carboxamide;ethyl propanoate
CID 175397825
ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrobromide
CID 24999987
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
ethyl 2-[[2-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazol-5-yl]cyclopropylidene]methylideneamino]oxy-2-pyridin-3-ylacetate
CID 139917605
2-chloro-5-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756584
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111332930
ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-ethylbenzimidazole-5-carbonyl]-4-fluoroanilino)propanoate
CID 141331251
2-amino-3-(5-cyano-1-methylbenzimidazol-2-yl)propanoic acid
CID 83440746
3-methyl-2-(methylaminomethyl)benzimidazole-5-carbonitrile
CID 84619675

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile?
The IUPAC name of 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile (CID 57478917) is 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile.
What is the SMILES notation for 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile?
The canonical SMILES for 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile is Cn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)C3(C)CCCC3)ccc21.
What is the InChIKey of 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile?
The InChIKey is KXKTWEICEWRQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-23(11-3-4-12-23)22(28)17-7-10-20-19(13-17)26-21(27(20)2)15-25-18-8-5-16(14-24)6-9-18/h5-10,13,25H,3-4,11-12,15H2,1-2H3.
What are the key properties of 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile?
4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-5-(1-methylcyclopentanecarbonyl)benzimidazol-2-yl]methylamino]benzonitrile is sourced from PubChem (CID 57478917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).