2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide

C14H18N4O — CID 25190722

IUPAC2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCCNCC3)nc12
InChIInChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18)
InChIKeyGHOYFPNFUYWZAZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.52
Rot. Bonds2

About 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide

2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190722) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190722
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCCNCC3)nc12
InChIInChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18)
InChIKeyGHOYFPNFUYWZAZ-UHFFFAOYSA-N
XLogP1.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperidine-2-carboxylate
CID 18428064
5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
CID 141341800
4-fluoro-2-piperidin-4-yl-1H-benzimidazole
CID 54592970
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide (CID 25190722) is 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCCNCC3)nc12.
What is the InChIKey of 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GHOYFPNFUYWZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(19)10-4-1-5-11-12(10)18-14(17-11)9-3-2-7-16-8-6-9/h1,4-5,9,16H,2-3,6-8H2,(H2,15,19)(H,17,18).
What are the key properties of 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide?
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).