2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide

C17H24N4O — CID 25190737

IUPAC2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O/c1-11(2)21-9-4-5-12(8-10-21)17-19-14-7-3-6-13(16(18)22)15(14)20-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyFXBMDRVJDXWALE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.64
Rot. Bonds3

About 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide

2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190737) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190737
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C17H24N4O/c1-11(2)21-9-4-5-12(8-10-21)17-19-14-7-3-6-13(16(18)22)15(14)20-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyFXBMDRVJDXWALE-UHFFFAOYSA-N
XLogP2.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide (CID 25190737) is 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is FXBMDRVJDXWALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)21-9-4-5-12(8-10-21)17-19-14-7-3-6-13(16(18)22)15(14)20-17/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide?
2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylazepan-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).