2-(2-methylbenzimidazol-1-yl)acetic acid

C10H10N2O2 — CID 719681

IUPAC2-(2-methylbenzimidazol-1-yl)acetic acid
SMILESCc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeySMGBDFGKVGSCGB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.43
Rot. Bonds2

About 2-(2-methylbenzimidazol-1-yl)acetic acid

2-(2-methylbenzimidazol-1-yl)acetic acid (PubChem CID 719681) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)acetic acid
PubChem CID719681
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(2-methylbenzimidazol-1-yl)acetic acid
SMILESCc1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeySMGBDFGKVGSCGB-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Emedastine Difumarate
CID 5282485
2-Benzimidazolecarboxylic acid
CID 233240
3-(1H-1,3-benzodiazol-1-yl)propanoic acid
CID 748256
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
Ethanol, 1-(1-methyl-2-benzimidazolyl)-
CID 97831
1H-Benzimidazole-2-acetic acid
CID 26117
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
2-Amino-1-methylbenzimidazole
CID 74187
1H-Benzimidazole-1-methanol
CID 146489
(1-methyl-1H-1,3-benzodiazol-2-yl)methanol
CID 344177
1-ethyl-1H-1,3-benzodiazole
CID 485094
2-(2-phenyl-1H-1,3-benzodiazol-1-yl)acetic acid
CID 619876

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)acetic acid (CID 719681) is 2-(2-methylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)acetic acid is Cc1nc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)acetic acid?
The InChIKey is SMGBDFGKVGSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-11-8-4-2-3-5-9(8)12(7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)acetic acid?
2-(2-methylbenzimidazol-1-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 719681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).