methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate

C25H22Cl2N2O2 — CID 59842059

IUPACmethyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate
SMILESCOC(=O)C1(c2ccccc2)N=CN(C(C)c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C25H22Cl2N2O2/c1-17(18-8-12-21(26)13-9-18)29-16-28-25(24(30)31-2,20-6-4-3-5-7-20)23(29)19-10-14-22(27)15-11-19/h3-17,23H,1-2H3
InChIKeyZCFVCSUZRDNNLV-UHFFFAOYSA-N
MW453.37 g/mol
LogP6.21
Rot. Bonds5

About methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate

methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate (PubChem CID 59842059) has the molecular formula C25H22Cl2N2O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate
PubChem CID59842059
Molecular FormulaC25H22Cl2N2O2
Molecular Weight453.37 g/mol
Exact Mass452.11
IUPAC Namemethyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate
SMILESCOC(=O)C1(c2ccccc2)N=CN(C(C)c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C25H22Cl2N2O2/c1-17(18-8-12-21(26)13-9-18)29-16-28-25(24(30)31-2,20-6-4-3-5-7-20)23(29)19-10-14-22(27)15-11-19/h3-17,23H,1-2H3
InChIKeyZCFVCSUZRDNNLV-UHFFFAOYSA-N
XLogP6.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate (CID 59842059) is methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate is COC(=O)C1(c2ccccc2)N=CN(C(C)c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate?
The InChIKey is ZCFVCSUZRDNNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2/c1-17(18-8-12-21(26)13-9-18)29-16-28-25(24(30)31-2,20-6-4-3-5-7-20)23(29)19-10-14-22(27)15-11-19/h3-17,23H,1-2H3.
What are the key properties of methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate?
methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate has a molecular weight of 453.37 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]-5-phenyl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 59842059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).