methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate

C24H22N2O3 — CID 45272754

IUPACmethyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2CCc1ccc(OC)cc1
InChIInChI=1S/C24H22N2O3/c1-28-20-11-8-17(9-12-20)14-15-26-22-13-10-19(24(27)29-2)16-21(22)25-23(26)18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3
InChIKeyASOGHZHHYKPUEM-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.74
Rot. Bonds6

About methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate

methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate (PubChem CID 45272754) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate
PubChem CID45272754
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2CCc1ccc(OC)cc1
InChIInChI=1S/C24H22N2O3/c1-28-20-11-8-17(9-12-20)14-15-26-22-13-10-19(24(27)29-2)16-21(22)25-23(26)18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3
InChIKeyASOGHZHHYKPUEM-UHFFFAOYSA-N
XLogP4.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate (CID 45272754) is methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2CCc1ccc(OC)cc1.
What is the InChIKey of methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate?
The InChIKey is ASOGHZHHYKPUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-20-11-8-17(9-12-20)14-15-26-22-13-10-19(24(27)29-2)16-21(22)25-23(26)18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3.
What are the key properties of methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate?
methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 45272754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).