5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid

C17H24N2O2 — CID 82150158

IUPAC5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
SMILESCCC(CC)c1nc2ccccc2n1CCCCC(=O)O
InChIInChI=1S/C17H24N2O2/c1-3-13(4-2)17-18-14-9-5-6-10-15(14)19(17)12-8-7-11-16(20)21/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeyNCJWYOVIIJPYRZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.19
Rot. Bonds8

About 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid

5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid (PubChem CID 82150158) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
PubChem CID82150158
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
SMILESCCC(CC)c1nc2ccccc2n1CCCCC(=O)O
InChIInChI=1S/C17H24N2O2/c1-3-13(4-2)17-18-14-9-5-6-10-15(14)19(17)12-8-7-11-16(20)21/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeyNCJWYOVIIJPYRZ-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
4-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 94723430
1-[4-(2-methylphenoxy)butyl]-2-pentan-3-ylbenzimidazole
CID 18879067
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
2-[2-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39148080
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
3-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 62803527
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 15956454

Frequently Asked Questions

What is the IUPAC name of 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid?
The IUPAC name of 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid (CID 82150158) is 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid is CCC(CC)c1nc2ccccc2n1CCCCC(=O)O.
What is the InChIKey of 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid?
The InChIKey is NCJWYOVIIJPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-13(4-2)17-18-14-9-5-6-10-15(14)19(17)12-8-7-11-16(20)21/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid?
5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid has a molecular weight of 288.39 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 82150158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).