2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid

C16H20N2O3 — CID 104966802

IUPAC2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2cccc(C(=O)O)c2n1C1CCC(O)CC1
InChIInChI=1S/C16H20N2O3/c1-2-14-17-13-5-3-4-12(16(20)21)15(13)18(14)10-6-8-11(19)9-7-10/h3-5,10-11,19H,2,6-9H2,1H3,(H,20,21)
InChIKeyLADZPYOZAQJEMA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds3

About 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid

2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid (PubChem CID 104966802) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
PubChem CID104966802
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2cccc(C(=O)O)c2n1C1CCC(O)CC1
InChIInChI=1S/C16H20N2O3/c1-2-14-17-13-5-3-4-12(16(20)21)15(13)18(14)10-6-8-11(19)9-7-10/h3-5,10-11,19H,2,6-9H2,1H3,(H,20,21)
InChIKeyLADZPYOZAQJEMA-UHFFFAOYSA-N
XLogP2.77
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic 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-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
2-ethyl-3-[(5-oxopyrrolidin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933454
3-(4-bromophenyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115932648
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 106279149
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
1-(4-hydroxycyclohexyl)-2-methylbenzimidazole-4-carboxylic acid
CID 104966804
2-ethyl-3-(4-methoxybutyl)benzimidazole-4-carboxylic acid
CID 115933172
2-ethyl-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzimidazole-4-carboxylic acid
CID 107866416
3-(3-ethoxy-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115933242
2-ethyl-3-(pyridazin-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 106897308
2-ethyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933093

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid (CID 104966802) is 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid is CCc1nc2cccc(C(=O)O)c2n1C1CCC(O)CC1.
What is the InChIKey of 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid?
The InChIKey is LADZPYOZAQJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-14-17-13-5-3-4-12(16(20)21)15(13)18(14)10-6-8-11(19)9-7-10/h3-5,10-11,19H,2,6-9H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid?
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 104966802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).