3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid

C11H11ClN2O2 — CID 83868022

IUPAC3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nc2c(Cl)cccc2[nH]1)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-6(11(15)16)5-9-13-8-4-2-3-7(12)10(8)14-9/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyUXPRDZBDXSGUDG-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.48
Rot. Bonds3

About 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid

3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid (PubChem CID 83868022) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
PubChem CID83868022
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1nc2c(Cl)cccc2[nH]1)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-6(11(15)16)5-9-13-8-4-2-3-7(12)10(8)14-9/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyUXPRDZBDXSGUDG-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-chloro-1H-benzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61071695
2-[(1-benzothiophene-2-carbonylamino)methyl]-3-(4-chloro-1H-benzimidazol-2-yl)propanoic acid
CID 143212411
4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 60978005
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
CID 120501807
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
4-chloro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole
CID 60978001
4-chloro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60978006
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid (CID 83868022) is 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid is CC(Cc1nc2c(Cl)cccc2[nH]1)C(=O)O.
What is the InChIKey of 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid?
The InChIKey is UXPRDZBDXSGUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6(11(15)16)5-9-13-8-4-2-3-7(12)10(8)14-9/h2-4,6H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid?
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83868022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).