4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one

C16H22N2O3 — CID 82334847

IUPAC4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
SMILESCCOc1ccc2c(c1)nc(CCCO)n2CCC(C)=O
InChIInChI=1S/C16H22N2O3/c1-3-21-13-6-7-15-14(11-13)17-16(5-4-10-19)18(15)9-8-12(2)20/h6-7,11,19H,3-5,8-10H2,1-2H3
InChIKeyJXAOMKQUHIXNPA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.34
Rot. Bonds8

About 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one

4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one (PubChem CID 82334847) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
PubChem CID82334847
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
SMILESCCOc1ccc2c(c1)nc(CCCO)n2CCC(C)=O
InChIInChI=1S/C16H22N2O3/c1-3-21-13-6-7-15-14(11-13)17-16(5-4-10-19)18(15)9-8-12(2)20/h6-7,11,19H,3-5,8-10H2,1-2H3
InChIKeyJXAOMKQUHIXNPA-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one 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

4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968
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
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
CID 82334844
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
4-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)butanoic acid
CID 82334652
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
3-[1-(2-hydroxyethyl)-5-propoxybenzimidazol-2-yl]propanoic acid
CID 82334985
4-[5-methyl-1-(3-oxobutyl)benzimidazol-2-yl]butanoic acid
CID 82332889
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
4-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 82334654

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one?
The IUPAC name of 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one (CID 82334847) is 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one.
What is the SMILES notation for 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one?
The canonical SMILES for 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one is CCOc1ccc2c(c1)nc(CCCO)n2CCC(C)=O.
What is the InChIKey of 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one?
The InChIKey is JXAOMKQUHIXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-13-6-7-15-14(11-13)17-16(5-4-10-19)18(15)9-8-12(2)20/h6-7,11,19H,3-5,8-10H2,1-2H3.
What are the key properties of 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one?
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one is sourced from PubChem (CID 82334847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).