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

C19H26N4O — CID 25190738

IUPAC2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCCN(C4CCCC4)CC3)nc12
InChIInChI=1S/C19H26N4O/c20-18(24)15-8-3-9-16-17(15)22-19(21-16)13-5-4-11-23(12-10-13)14-6-1-2-7-14/h3,8-9,13-14H,1-2,4-7,10-12H2,(H2,20,24)(H,21,22)
InChIKeyBHQQKXGTQNEJFM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.17
Rot. Bonds3

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

2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190738) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190738
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCCN(C4CCCC4)CC3)nc12
InChIInChI=1S/C19H26N4O/c20-18(24)15-8-3-9-16-17(15)22-19(21-16)13-5-4-11-23(12-10-13)14-6-1-2-7-14/h3,8-9,13-14H,1-2,4-7,10-12H2,(H2,20,24)(H,21,22)
InChIKeyBHQQKXGTQNEJFM-UHFFFAOYSA-N
XLogP3.17
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide (CID 25190738) is 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCCN(C4CCCC4)CC3)nc12.
What is the InChIKey of 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is BHQQKXGTQNEJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c20-18(24)15-8-3-9-16-17(15)22-19(21-16)13-5-4-11-23(12-10-13)14-6-1-2-7-14/h3,8-9,13-14H,1-2,4-7,10-12H2,(H2,20,24)(H,21,22).
What are the key properties of 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylazepan-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).