3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid

C11H12N2O3 — CID 6494984

IUPAC3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2ccc(O)cc2n1CCC(=O)O
InChIInChI=1S/C11H12N2O3/c1-7-12-9-3-2-8(14)6-10(9)13(7)5-4-11(15)16/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKeyFNSZERSELJIUNL-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.53
Rot. Bonds3

About 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid

3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid (PubChem CID 6494984) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
PubChem CID6494984
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2ccc(O)cc2n1CCC(=O)O
InChIInChI=1S/C11H12N2O3/c1-7-12-9-3-2-8(14)6-10(9)13(7)5-4-11(15)16/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChIKeyFNSZERSELJIUNL-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 84796849
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
2-methyl-3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82774842
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
methyl 3-[6-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]propanoate
CID 129320176
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid (CID 6494984) is 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid is Cc1nc2ccc(O)cc2n1CCC(=O)O.
What is the InChIKey of 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid?
The InChIKey is FNSZERSELJIUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-12-9-3-2-8(14)6-10(9)13(7)5-4-11(15)16/h2-3,6,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid?
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 6494984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).