(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid

C17H15ClN2O3 — CID 7033387

IUPAC(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cc3n2O[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C17H15ClN2O3/c1-10-3-5-12(6-4-10)16-19-14-8-7-13(18)9-15(14)20(16)23-11(2)17(21)22/h3-9,11H,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyCCHSVFWARMTYNG-NSHDSACASA-N
MW330.77 g/mol
LogP3.57
Rot. Bonds4

About (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid

(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid (PubChem CID 7033387) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid
PubChem CID7033387
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cc3n2O[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C17H15ClN2O3/c1-10-3-5-12(6-4-10)16-19-14-8-7-13(18)9-15(14)20(16)23-11(2)17(21)22/h3-9,11H,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyCCHSVFWARMTYNG-NSHDSACASA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]oxypropanoate
CID 3611698
ethyl (2R)-2-[2-(3-chlorophenyl)-6-nitrobenzimidazol-1-yl]oxypropanoate
CID 7033396
6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
CID 4538652
6-chloro-2-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 2764991
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
N-[4-(6-chloro-1-methylbenzimidazol-2-yl)phenyl]-2-[(3Z,5Z)-3-methylhepta-3,5-dien-2-yl]oxyacetamide
CID 143486804
(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone
CID 155599085
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
CID 83849281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid?
The IUPAC name of (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid (CID 7033387) is (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid is Cc1ccc(-c2nc3ccc(Cl)cc3n2O[C@@H](C)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid?
The InChIKey is CCHSVFWARMTYNG-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-10-3-5-12(6-4-10)16-19-14-8-7-13(18)9-15(14)20(16)23-11(2)17(21)22/h3-9,11H,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid?
(2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid has a molecular weight of 330.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-chloro-2-(4-methylphenyl)benzimidazol-1-yl]oxypropanoic acid is sourced from PubChem (CID 7033387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).