2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid

C14H18N2O3 — CID 115543775

IUPAC2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CC(C)CO
InChIInChI=1S/C14H18N2O3/c1-3-12-15-13-10(14(18)19)5-4-6-11(13)16(12)7-9(2)8-17/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyPRQUTAHBBLIHFA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.93
Rot. Bonds5

About 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid

2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid (PubChem CID 115543775) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
PubChem CID115543775
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2c(C(=O)O)cccc2n1CC(C)CO
InChIInChI=1S/C14H18N2O3/c1-3-12-15-13-10(14(18)19)5-4-6-11(13)16(12)7-9(2)8-17/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyPRQUTAHBBLIHFA-UHFFFAOYSA-N
XLogP1.93
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-(3-hydroxy-2-methylpropyl)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

1-(2,2-difluoroethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 113332333
1-(2-methylpropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113332174
1-(2-cyclopropylethyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115543805
1-[2-(dimethylamino)propyl]-2-propylbenzimidazole-4-carboxylic acid
CID 115543429
2-ethyl-1-[3-(2-hydroxyethoxy)propyl]benzimidazole-4-carboxylic acid
CID 106304934
2-ethyl-1-(1,2-oxazol-3-ylmethyl)benzimidazole-4-carboxylic acid
CID 115543951
2-ethyl-1-(2-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
CID 115543008
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole-4-carboxylic acid
CID 106432165
2-ethyl-1-(1-methylsulfonylpropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543744
1-propan-2-yl-2-propylbenzimidazole-4-carboxylic acid
CID 113332159
1-(4-methylpentyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543581
2-ethyl-3-(5-hydroxy-4-methylpentyl)benzimidazole-4-carboxylic acid
CID 106162414

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid (CID 115543775) is 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid is CCc1nc2c(C(=O)O)cccc2n1CC(C)CO.
What is the InChIKey of 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid?
The InChIKey is PRQUTAHBBLIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-12-15-13-10(14(18)19)5-4-6-11(13)16(12)7-9(2)8-17/h4-6,9,17H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid?
2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-hydroxy-2-methylpropyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).