3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid

C17H24N2O2 — CID 82333910

IUPAC3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
SMILESCC(C)Cn1c(CCC(=O)O)nc2cc(C(C)C)ccc21
InChIInChI=1S/C17H24N2O2/c1-11(2)10-19-15-6-5-13(12(3)4)9-14(15)18-16(19)7-8-17(20)21/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyIXRZFOAXRDCHFM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.83
Rot. Bonds6

About 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid

3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid (PubChem CID 82333910) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
PubChem CID82333910
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
SMILESCC(C)Cn1c(CCC(=O)O)nc2cc(C(C)C)ccc21
InChIInChI=1S/C17H24N2O2/c1-11(2)10-19-15-6-5-13(12(3)4)9-14(15)18-16(19)7-8-17(20)21/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyIXRZFOAXRDCHFM-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic 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

3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
2-(5-propan-2-yl-1-prop-2-ynylbenzimidazol-2-yl)ethanethiol
CID 82334227
3-[5-chloro-1-(3-oxobutyl)benzimidazol-2-yl]propanoic acid
CID 82332498
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322894
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propanoic acid
CID 82334272

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid (CID 82333910) is 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid is CC(C)Cn1c(CCC(=O)O)nc2cc(C(C)C)ccc21.
What is the InChIKey of 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid?
The InChIKey is IXRZFOAXRDCHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)10-19-15-6-5-13(12(3)4)9-14(15)18-16(19)7-8-17(20)21/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid?
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid has a molecular weight of 288.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid is sourced from PubChem (CID 82333910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).