N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide

C17H23N3O2 — CID 110785342

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C17H23N3O2/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)11-18-16(21)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,21)
InChIKeyMDDAFKBCDIJGFD-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.07
Rot. Bonds3

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide (PubChem CID 110785342) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
PubChem CID110785342
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)C3CCCCC3)ccc21
InChIInChI=1S/C17H23N3O2/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)11-18-16(21)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,21)
InChIKeyMDDAFKBCDIJGFD-UHFFFAOYSA-N
XLogP2.07
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide 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

(2R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97113385
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
5-[(cycloheptylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6471863
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
CID 110730554
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide (CID 110785342) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide is Cn1c(=O)n(C)c2cc(CNC(=O)C3CCCCC3)ccc21.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide?
The InChIKey is MDDAFKBCDIJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)11-18-16(21)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 110785342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).