4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid

C16H22N2O3 — CID 82334654

IUPAC4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
SMILESCCOc1ccc2c(c1)nc(CCCC(=O)O)n2C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-12-8-9-14-13(10-12)17-15(18(14)11(2)3)6-5-7-16(19)20/h8-11H,4-7H2,1-3H3,(H,19,20)
InChIKeyKWWBBBRWWSQNSO-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.42
Rot. Bonds7

About 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid

4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid (PubChem CID 82334654) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
PubChem CID82334654
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
SMILESCCOc1ccc2c(c1)nc(CCCC(=O)O)n2C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-12-8-9-14-13(10-12)17-15(18(14)11(2)3)6-5-7-16(19)20/h8-11H,4-7H2,1-3H3,(H,19,20)
InChIKeyKWWBBBRWWSQNSO-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-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

3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
4-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)butanoic acid
CID 82334652
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
CID 82334641
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid (CID 82334654) is 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid is CCOc1ccc2c(c1)nc(CCCC(=O)O)n2C(C)C.
What is the InChIKey of 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
The InChIKey is KWWBBBRWWSQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-12-8-9-14-13(10-12)17-15(18(14)11(2)3)6-5-7-16(19)20/h8-11H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 82334654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).