2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate

C23H20N2O3 — CID 58974418

IUPAC2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-27-19-13-11-18(12-14-19)23(26)28-16-15-25-21-10-6-5-9-20(21)24-22(25)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyHENIRQIWACNWGB-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.57
Rot. Bonds6

About 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate

2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate (PubChem CID 58974418) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate.

Molecular Properties

Compound Name2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
PubChem CID58974418
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCn2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-27-19-13-11-18(12-14-19)23(26)28-16-15-25-21-10-6-5-9-20(21)24-22(25)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyHENIRQIWACNWGB-UHFFFAOYSA-N
XLogP4.57
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate 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-(2-phenylbenzimidazol-1-yl)ethyl 3,5-dimethoxybenzoate
CID 58974470
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756512
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate?
The IUPAC name of 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate (CID 58974418) is 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate.
What is the SMILES notation for 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate?
The canonical SMILES for 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate is COc1ccc(C(=O)OCCn2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate?
The InChIKey is HENIRQIWACNWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-27-19-13-11-18(12-14-19)23(26)28-16-15-25-21-10-6-5-9-20(21)24-22(25)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate?
2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate has a molecular weight of 372.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate is sourced from PubChem (CID 58974418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).