(4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate

C32H30N2O3 — CID 25262150

IUPAC(4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
SMILESCOc1ccc(COC(=O)C2(C)N=C(c3ccccc3)N(Cc3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C32H30N2O3/c1-32(31(35)37-23-25-18-20-28(36-2)21-19-25)29(26-14-8-4-9-15-26)34(22-24-12-6-3-7-13-24)30(33-32)27-16-10-5-11-17-27/h3-21,29H,22-23H2,1-2H3
InChIKeyUZPJEKNTAYTVQC-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.20
Rot. Bonds8

About (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate

(4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate (PubChem CID 25262150) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
PubChem CID25262150
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name(4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
SMILESCOc1ccc(COC(=O)C2(C)N=C(c3ccccc3)N(Cc3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C32H30N2O3/c1-32(31(35)37-23-25-18-20-28(36-2)21-19-25)29(26-14-8-4-9-15-26)34(22-24-12-6-3-7-13-24)30(33-32)27-16-10-5-11-17-27/h3-21,29H,22-23H2,1-2H3
InChIKeyUZPJEKNTAYTVQC-UHFFFAOYSA-N
XLogP6.20
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate (CID 25262150) is (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate is COc1ccc(COC(=O)C2(C)N=C(c3ccccc3)N(Cc3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
The InChIKey is UZPJEKNTAYTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-32(31(35)37-23-25-18-20-28(36-2)21-19-25)29(26-14-8-4-9-15-26)34(22-24-12-6-3-7-13-24)30(33-32)27-16-10-5-11-17-27/h3-21,29H,22-23H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate?
(4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate has a molecular weight of 490.60 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 25262150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).