2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid

C11H12N2O3 — CID 82334255

IUPAC2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
SMILESCOc1ccc2c(c1)nc(CC(=O)O)n2C
InChIInChI=1S/C11H12N2O3/c1-13-9-4-3-7(16-2)5-8(9)12-10(13)6-11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyLUPHEXNQUGDWCU-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.21
Rot. Bonds3

About 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid

2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid (PubChem CID 82334255) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
PubChem CID82334255
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
SMILESCOc1ccc2c(c1)nc(CC(=O)O)n2C
InChIInChI=1S/C11H12N2O3/c1-13-9-4-3-7(16-2)5-8(9)12-10(13)6-11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyLUPHEXNQUGDWCU-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propanoic acid
CID 82334272
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
CID 82334641
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)propanoic acid
CID 82334264
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide
CID 119045470
methyl 3-(5-methoxy-1-methylbenzimidazol-2-yl)sulfinylpropanoate
CID 118949013
(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335418
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid (CID 82334255) is 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid is COc1ccc2c(c1)nc(CC(=O)O)n2C.
What is the InChIKey of 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid?
The InChIKey is LUPHEXNQUGDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-9-4-3-7(16-2)5-8(9)12-10(13)6-11(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid?
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid is sourced from PubChem (CID 82334255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).