N-cycloheptyl-3H-benzimidazole-5-carboxamide

C15H19N3O — CID 27646859

IUPACN-cycloheptyl-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H19N3O/c19-15(18-12-5-3-1-2-4-6-12)11-7-8-13-14(9-11)17-10-16-13/h7-10,12H,1-6H2,(H,16,17)(H,18,19)
InChIKeySIXKWGXRFCWWAR-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.02
Rot. Bonds2

About N-cycloheptyl-3H-benzimidazole-5-carboxamide

N-cycloheptyl-3H-benzimidazole-5-carboxamide (PubChem CID 27646859) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cycloheptyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3H-benzimidazole-5-carboxamide
PubChem CID27646859
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-cycloheptyl-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H19N3O/c19-15(18-12-5-3-1-2-4-6-12)11-7-8-13-14(9-11)17-10-16-13/h7-10,12H,1-6H2,(H,16,17)(H,18,19)
InChIKeySIXKWGXRFCWWAR-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[3-[(4-aminocyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119475237
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-3H-benzimidazole-5-carboxamide (CID 27646859) is N-cycloheptyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3H-benzimidazole-5-carboxamide is O=C(NC1CCCCCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-cycloheptyl-3H-benzimidazole-5-carboxamide?
The InChIKey is SIXKWGXRFCWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(18-12-5-3-1-2-4-6-12)11-7-8-13-14(9-11)17-10-16-13/h7-10,12H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of N-cycloheptyl-3H-benzimidazole-5-carboxamide?
N-cycloheptyl-3H-benzimidazole-5-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 27646859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).