2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid

C11H11ClN2O2 — CID 83868053

IUPAC2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccc(Cl)c2n1C
InChIInChI=1S/C11H11ClN2O2/c1-6(11(15)16)10-13-8-5-3-4-7(12)9(8)14(10)2/h3-6H,1-2H3,(H,15,16)
InChIKeyOSZWWTBFSKSPTF-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.41
Rot. Bonds2

About 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid

2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid (PubChem CID 83868053) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
PubChem CID83868053
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccc(Cl)c2n1C
InChIInChI=1S/C11H11ClN2O2/c1-6(11(15)16)10-13-8-5-3-4-7(12)9(8)14(10)2/h3-6H,1-2H3,(H,15,16)
InChIKeyOSZWWTBFSKSPTF-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62933636
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
2-[1-(azetidin-3-yl)ethyl]-7-chloro-1-methylbenzimidazole
CID 116682119
2-(7-chloro-1-methylbenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 62853148
3-(7-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylbutanoic acid
CID 103499872
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
2-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60791241
2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 61467682
2-(1,7-dimethylbenzimidazol-2-yl)butanoic acid
CID 83857970
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
CID 83849281

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid?
The IUPAC name of 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid (CID 83868053) is 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid?
The canonical SMILES for 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid is CC(C(=O)O)c1nc2cccc(Cl)c2n1C.
What is the InChIKey of 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid?
The InChIKey is OSZWWTBFSKSPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6(11(15)16)10-13-8-5-3-4-7(12)9(8)14(10)2/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid?
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 83868053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).