methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate

C25H24N2O4 — CID 45273682

IUPACmethyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1cccc(OC)c1)n2CCc1ccc(OC)cc1
InChIInChI=1S/C25H24N2O4/c1-29-20-10-7-17(8-11-20)13-14-27-23-12-9-19(25(28)31-3)16-22(23)26-24(27)18-5-4-6-21(15-18)30-2/h4-12,15-16H,13-14H2,1-3H3
InChIKeyUWDBFDMFMZEUMP-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.75
Rot. Bonds7

About methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate

methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate (PubChem CID 45273682) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
PubChem CID45273682
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namemethyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1cccc(OC)c1)n2CCc1ccc(OC)cc1
InChIInChI=1S/C25H24N2O4/c1-29-20-10-7-17(8-11-20)13-14-27-23-12-9-19(25(28)31-3)16-22(23)26-24(27)18-5-4-6-21(15-18)30-2/h4-12,15-16H,13-14H2,1-3H3
InChIKeyUWDBFDMFMZEUMP-UHFFFAOYSA-N
XLogP4.75
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate (CID 45273682) is methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1cccc(OC)c1)n2CCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
The InChIKey is UWDBFDMFMZEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-29-20-10-7-17(8-11-20)13-14-27-23-12-9-19(25(28)31-3)16-22(23)26-24(27)18-5-4-6-21(15-18)30-2/h4-12,15-16H,13-14H2,1-3H3.
What are the key properties of methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate?
methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 45273682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).