4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile

C48H38N6O4 — CID 68718621

IUPAC4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)N(c3ccc(C#N)cc3)C(c3nc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)[nH]3)N2c2ccc(C#N)cc2)cc1
InChIInChI=1S/C48H38N6O4/c1-55-39-21-9-33(10-22-39)43-44(34-11-23-40(56-2)24-12-34)52-47(51-43)48-53(37-17-5-31(29-49)6-18-37)45(35-13-25-41(57-3)26-14-35)46(36-15-27-42(58-4)28-16-36)54(48)38-19-7-32(30-50)8-20-38/h5-28,48H,1-4H3,(H,51,52)
InChIKeyRENILNZEQXJDDM-UHFFFAOYSA-N
MW762.87 g/mol
LogP10.07
Rot. Bonds11

About 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile

4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile (PubChem CID 68718621) has the molecular formula C48H38N6O4 and a molecular weight of 762.87 g/mol. Its IUPAC name is 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile
PubChem CID68718621
Molecular FormulaC48H38N6O4
Molecular Weight762.87 g/mol
Exact Mass762.30
IUPAC Name4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)N(c3ccc(C#N)cc3)C(c3nc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)[nH]3)N2c2ccc(C#N)cc2)cc1
InChIInChI=1S/C48H38N6O4/c1-55-39-21-9-33(10-22-39)43-44(34-11-23-40(56-2)24-12-34)52-47(51-43)48-53(37-17-5-31(29-49)6-18-37)45(35-13-25-41(57-3)26-14-35)46(36-15-27-42(58-4)28-16-36)54(48)38-19-7-32(30-50)8-20-38/h5-28,48H,1-4H3,(H,51,52)
InChIKeyRENILNZEQXJDDM-UHFFFAOYSA-N
XLogP10.07
TPSA119.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.87
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile?
The IUPAC name of 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile (CID 68718621) is 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile?
The canonical SMILES for 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile is COc1ccc(C2=C(c3ccc(OC)cc3)N(c3ccc(C#N)cc3)C(c3nc(-c4ccc(OC)cc4)c(-c4ccc(OC)cc4)[nH]3)N2c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile?
The InChIKey is RENILNZEQXJDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N6O4/c1-55-39-21-9-33(10-22-39)43-44(34-11-23-40(56-2)24-12-34)52-47(51-43)48-53(37-17-5-31(29-49)6-18-37)45(35-13-25-41(57-3)26-14-35)46(36-15-27-42(58-4)28-16-36)54(48)38-19-7-32(30-50)8-20-38/h5-28,48H,1-4H3,(H,51,52).
What are the key properties of 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile?
4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile has a molecular weight of 762.87 g/mol, XLogP of 10.07, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-3-(4-cyanophenyl)-4,5-bis(4-methoxyphenyl)-2H-imidazol-1-yl]benzonitrile is sourced from PubChem (CID 68718621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).