2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid

C14H18N2O2 — CID 82498102

IUPAC2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid
SMILESCCn1c(C)nc2cc(C(C)(C)C(=O)O)ccc21
InChIInChI=1S/C14H18N2O2/c1-5-16-9(2)15-11-8-10(6-7-12(11)16)14(3,4)13(17)18/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyKOKWCIIZMPQEFK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.73
Rot. Bonds3

About 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid

2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid (PubChem CID 82498102) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid
PubChem CID82498102
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid
SMILESCCn1c(C)nc2cc(C(C)(C)C(=O)O)ccc21
InChIInChI=1S/C14H18N2O2/c1-5-16-9(2)15-11-8-10(6-7-12(11)16)14(3,4)13(17)18/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyKOKWCIIZMPQEFK-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic 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-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
2-bromo-1-(1-ethyl-2-methylbenzimidazol-5-yl)ethanone
CID 87941694
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-ethyl-2-methylbenzimidazole-5-sulfonyl chloride
CID 82500246
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
3-(1,2-dimethylbenzimidazol-5-yl)-3,3-difluoropropanoic acid
CID 116838405
4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid (CID 82498102) is 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid is CCn1c(C)nc2cc(C(C)(C)C(=O)O)ccc21.
What is the InChIKey of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid?
The InChIKey is KOKWCIIZMPQEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-16-9(2)15-11-8-10(6-7-12(11)16)14(3,4)13(17)18/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid?
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82498102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).