2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid

C17H15ClN2O2 — CID 142636695

IUPAC2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid
SMILESCc1nc2c(Cc3ccccc3Cl)cc(CC(=O)O)cc2[nH]1
InChIInChI=1S/C17H15ClN2O2/c1-10-19-15-7-11(8-16(21)22)6-13(17(15)20-10)9-12-4-2-3-5-14(12)18/h2-7H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyGVSOGOZYCCCSCP-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.74
Rot. Bonds4

About 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid

2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid (PubChem CID 142636695) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid
PubChem CID142636695
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid
SMILESCc1nc2c(Cc3ccccc3Cl)cc(CC(=O)O)cc2[nH]1
InChIInChI=1S/C17H15ClN2O2/c1-10-19-15-7-11(8-16(21)22)6-13(17(15)20-10)9-12-4-2-3-5-14(12)18/h2-7H,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKeyGVSOGOZYCCCSCP-UHFFFAOYSA-N
XLogP3.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
CID 140992503
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
3,5-bis[(2-chlorophenyl)methyl]-2-hydroxybenzoic acid
CID 139758970
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
CID 142395274
N-butylsulfonyl-2-methyl-7-[[4-(2-phenylethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 66925925
2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
CID 156634517
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
CID 58897321
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid (CID 142636695) is 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid is Cc1nc2c(Cc3ccccc3Cl)cc(CC(=O)O)cc2[nH]1.
What is the InChIKey of 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid?
The InChIKey is GVSOGOZYCCCSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-19-15-7-11(8-16(21)22)6-13(17(15)20-10)9-12-4-2-3-5-14(12)18/h2-7H,8-9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid?
2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid has a molecular weight of 314.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-chlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 142636695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).