methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate

C17H16N2O2 — CID 175536518

IUPACmethyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
SMILESCCc1ccc(-n2c(C(=O)OC)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-3-12-8-10-13(11-9-12)19-15-7-5-4-6-14(15)18-16(19)17(20)21-2/h4-11H,3H2,1-2H3
InChIKeyKWOYYUFDQPKQEF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.37
Rot. Bonds3

About methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate

methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate (PubChem CID 175536518) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
PubChem CID175536518
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate
SMILESCCc1ccc(-n2c(C(=O)OC)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-3-12-8-10-13(11-9-12)19-15-7-5-4-6-14(15)18-16(19)17(20)21-2/h4-11H,3H2,1-2H3
InChIKeyKWOYYUFDQPKQEF-UHFFFAOYSA-N
XLogP3.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate 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

ethyl 2-(1-phenylbenzimidazol-2-yl)prop-2-enoate
CID 54081017
2-[[4-[2-(4-methylbenzoyl)benzimidazol-1-yl]phenyl]methoxy]acetic acid
CID 142995441
[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
CID 132570584
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 42907186
(Z)-4-hydroxy-3-[1-(4-methylphenyl)benzimidazol-2-yl]pent-3-en-2-one
CID 177393111
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
(Z)-1-(1-phenylbenzimidazol-2-yl)but-1-en-1-amine
CID 142296211
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
methyl 3-[(1-phenylbenzimidazol-2-yl)amino]benzoate
CID 141343666
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-methylpentanamide
CID 130183558
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate?
The IUPAC name of methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate (CID 175536518) is methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate.
What is the SMILES notation for methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate?
The canonical SMILES for methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate is CCc1ccc(-n2c(C(=O)OC)nc3ccccc32)cc1.
What is the InChIKey of methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate?
The InChIKey is KWOYYUFDQPKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-12-8-10-13(11-9-12)19-15-7-5-4-6-14(15)18-16(19)17(20)21-2/h4-11H,3H2,1-2H3.
What are the key properties of methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate?
methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethylphenyl)benzimidazole-2-carboxylate is sourced from PubChem (CID 175536518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).