ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid

C14H20N2O3 — CID 143625160

IUPACethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid
SMILESCC.CCOc1nc2cccc(C(=O)O)c2n1CC
InChIInChI=1S/C12H14N2O3.C2H6/c1-3-14-10-8(11(15)16)6-5-7-9(10)13-12(14)17-4-2;1-2/h5-7H,3-4H2,1-2H3,(H,15,16);1-2H3
InChIKeyZIBNXBUAMLPYBR-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.18
Rot. Bonds4

About ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid

ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid (PubChem CID 143625160) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Nameethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid
PubChem CID143625160
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid
SMILESCC.CCOc1nc2cccc(C(=O)O)c2n1CC
InChIInChI=1S/C12H14N2O3.C2H6/c1-3-14-10-8(11(15)16)6-5-7-9(10)13-12(14)17-4-2;1-2/h5-7H,3-4H2,1-2H3,(H,15,16);1-2H3
InChIKeyZIBNXBUAMLPYBR-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;2-ethoxy-3-ethylbenzimidazole-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

2-[4-[(2-ethoxy-7-methoxycarbonylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 135742044
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 2541
3-[[4-[2-carboxy-5-(3,3-difluoropiperidin-1-yl)phenyl]phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylic acid
CID 138744024
3-[[2,5-difluoro-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylic acid
CID 139726018
methyl 2-ethoxy-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 15654679
3-(3-ethoxy-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115933242
2-ethoxy-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclohexa-1,3,5-trien-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 140767813
2-ethoxy-3-[[4-[4-propyl-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]benzimidazole-4-carboxylic acid
CID 54416253
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
2-ethyl-3-(4-methoxybutyl)benzimidazole-4-carboxylic acid
CID 115933172
2-tert-butyl-3-pentylbenzimidazole-4-carboxylic acid
CID 115932801
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid?
The IUPAC name of ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid (CID 143625160) is ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid?
The canonical SMILES for ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid is CC.CCOc1nc2cccc(C(=O)O)c2n1CC.
What is the InChIKey of ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid?
The InChIKey is ZIBNXBUAMLPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3.C2H6/c1-3-14-10-8(11(15)16)6-5-7-9(10)13-12(14)17-4-2;1-2/h5-7H,3-4H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid?
ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 143625160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).