N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide

C16H21N3O — CID 64722974

IUPACN-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C16H21N3O/c1-10-5-11(2)7-13(6-10)19-16(20)12-3-4-14-15(8-12)18-9-17-14/h3-4,8-11,13H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCEEMNVAPZZBPES-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide

N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide (PubChem CID 64722974) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
PubChem CID64722974
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C16H21N3O/c1-10-5-11(2)7-13(6-10)19-16(20)12-3-4-14-15(8-12)18-9-17-14/h3-4,8-11,13H,5-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCEEMNVAPZZBPES-UHFFFAOYSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
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CID 106995338
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
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CID 110821957

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide (CID 64722974) is N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide is CC1CC(C)CC(NC(=O)c2ccc3nc[nH]c3c2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CEEMNVAPZZBPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-5-11(2)7-13(6-10)19-16(20)12-3-4-14-15(8-12)18-9-17-14/h3-4,8-11,13H,5-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide?
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 64722974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).