2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide

C17H26N4O — CID 119836762

IUPAC2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
SMILESCCCC(N)C(=O)NC(CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H26N4O/c1-4-7-12(18)17(22)21-15(10-11(2)3)16-19-13-8-5-6-9-14(13)20-16/h5-6,8-9,11-12,15H,4,7,10,18H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyAWJRDJYRGVESME-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.89
Rot. Bonds7

About 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide

2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide (PubChem CID 119836762) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
PubChem CID119836762
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
SMILESCCCC(N)C(=O)NC(CC(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H26N4O/c1-4-7-12(18)17(22)21-15(10-11(2)3)16-19-13-8-5-6-9-14(13)20-16/h5-6,8-9,11-12,15H,4,7,10,18H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyAWJRDJYRGVESME-UHFFFAOYSA-N
XLogP2.89
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
CID 112798359
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
CID 120594898
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 43889855
(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94040496
2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640550

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide?
The IUPAC name of 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide (CID 119836762) is 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide is CCCC(N)C(=O)NC(CC(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide?
The InChIKey is AWJRDJYRGVESME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-7-12(18)17(22)21-15(10-11(2)3)16-19-13-8-5-6-9-14(13)20-16/h5-6,8-9,11-12,15H,4,7,10,18H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide?
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide has a molecular weight of 302.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide is sourced from PubChem (CID 119836762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).