4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid

C15H20N2O4 — CID 82150037

IUPAC4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
SMILESCCc1nc2cc(OC)c(OC)cc2n1CCCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-14-16-10-8-12(20-2)13(21-3)9-11(10)17(14)7-5-6-15(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyMBUPLIICCYTAQD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.48
Rot. Bonds7

About 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid

4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid (PubChem CID 82150037) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
PubChem CID82150037
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
SMILESCCc1nc2cc(OC)c(OC)cc2n1CCCC(=O)O
InChIInChI=1S/C15H20N2O4/c1-4-14-16-10-8-12(20-2)13(21-3)9-11(10)17(14)7-5-6-15(18)19/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyMBUPLIICCYTAQD-UHFFFAOYSA-N
XLogP2.48
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
3-[5,6-dimethoxy-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 61365700
5-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)pentanoic acid
CID 82150191
4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82150067
3-[2-[(1S)-1-hydroxyethyl]-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 66262870
4-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82311942
3-[2-(1-aminopropyl)-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 82025004
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 46309772

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid (CID 82150037) is 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid is CCc1nc2cc(OC)c(OC)cc2n1CCCC(=O)O.
What is the InChIKey of 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid?
The InChIKey is MBUPLIICCYTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-14-16-10-8-12(20-2)13(21-3)9-11(10)17(14)7-5-6-15(18)19/h8-9H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid?
4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 82150037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).