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

C12H14N2O2 — CID 84786090

IUPAC2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
SMILESCCc1nc2cc(C)ccc2n1CC(=O)O
InChIInChI=1S/C12H14N2O2/c1-3-11-13-9-6-8(2)4-5-10(9)14(11)7-12(15)16/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyGKDFGDYVMGUGCQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.99
Rot. Bonds3

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

2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid (PubChem CID 84786090) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
PubChem CID84786090
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
SMILESCCc1nc2cc(C)ccc2n1CC(=O)O
InChIInChI=1S/C12H14N2O2/c1-3-11-13-9-6-8(2)4-5-10(9)14(11)7-12(15)16/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyGKDFGDYVMGUGCQ-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetic acid
CID 82310904
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N-ethylacetamide
CID 43661207
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-[2-(3-methylphenyl)-5-propanoylbenzimidazol-1-yl]acetic acid
CID 94743154
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
4-[5-methyl-1-(3-oxobutyl)benzimidazol-2-yl]butanoic acid
CID 82332889
2-[1-(2-amino-2-oxoethyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 43661232

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid (CID 84786090) is 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid is CCc1nc2cc(C)ccc2n1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid?
The InChIKey is GKDFGDYVMGUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-11-13-9-6-8(2)4-5-10(9)14(11)7-12(15)16/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid?
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid has a molecular weight of 218.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84786090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).