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

C13H16N2O4 — CID 61364519

IUPAC2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
SMILESCCc1nc2cc(OC)c(OC)cc2n1CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-4-12-14-8-5-10(18-2)11(19-3)6-9(8)15(12)7-13(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyFNADRWHJZNAMJC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.70
Rot. Bonds5

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

2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid (PubChem CID 61364519) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
PubChem CID61364519
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
SMILESCCc1nc2cc(OC)c(OC)cc2n1CC(=O)O
InChIInChI=1S/C13H16N2O4/c1-4-12-14-8-5-10(18-2)11(19-3)6-9(8)15(12)7-13(16)17/h5-6H,4,7H2,1-3H3,(H,16,17)
InChIKeyFNADRWHJZNAMJC-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid (CID 61364519) is 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid is CCc1nc2cc(OC)c(OC)cc2n1CC(=O)O.
What is the InChIKey of 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid?
The InChIKey is FNADRWHJZNAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-12-14-8-5-10(18-2)11(19-3)6-9(8)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-dimethoxybenzimidazol-1-yl)acetic acid?
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 61364519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).