2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid

C13H16N2O2 — CID 62336744

IUPAC2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
SMILESCCc1nc2cc(C)c(C)cc2n1CC(=O)O
InChIInChI=1S/C13H16N2O2/c1-4-12-14-10-5-8(2)9(3)6-11(10)15(12)7-13(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyPGCPYBGZBZAGEW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid

2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid (PubChem CID 62336744) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
PubChem CID62336744
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
SMILESCCc1nc2cc(C)c(C)cc2n1CC(=O)O
InChIInChI=1S/C13H16N2O2/c1-4-12-14-10-5-8(2)9(3)6-11(10)15(12)7-13(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyPGCPYBGZBZAGEW-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid (CID 62336744) is 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid is CCc1nc2cc(C)c(C)cc2n1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid?
The InChIKey is PGCPYBGZBZAGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-12-14-10-5-8(2)9(3)6-11(10)15(12)7-13(16)17/h5-6H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid?
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 62336744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).