1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole

C46H34Cl4N4O4 — CID 14618329

IUPAC1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole
SMILESCOc1ccc(-c2c(-c3ccccc3Cl)nc(-c3ccccc3Cl)n2-n2c(-c3ccccc3Cl)nc(-c3ccccc3Cl)c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C46H34Cl4N4O4/c1-55-37-23-21-27(25-39(37)57-3)43-41(29-13-5-9-17-33(29)47)51-45(31-15-7-11-19-35(31)49)53(43)54-44(28-22-24-38(56-2)40(26-28)58-4)42(30-14-6-10-18-34(30)48)52-46(54)32-16-8-12-20-36(32)50/h5-26H,1-4H3
InChIKeyPAAMPYGNAGOKND-UHFFFAOYSA-N
MW848.61 g/mol
LogP13.04
Rot. Bonds11

About 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole

1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole (PubChem CID 14618329) has the molecular formula C46H34Cl4N4O4 and a molecular weight of 848.61 g/mol. Its IUPAC name is 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole
PubChem CID14618329
Molecular FormulaC46H34Cl4N4O4
Molecular Weight848.61 g/mol
Exact Mass846.13
IUPAC Name1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole
SMILESCOc1ccc(-c2c(-c3ccccc3Cl)nc(-c3ccccc3Cl)n2-n2c(-c3ccccc3Cl)nc(-c3ccccc3Cl)c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C46H34Cl4N4O4/c1-55-37-23-21-27(25-39(37)57-3)43-41(29-13-5-9-17-33(29)47)51-45(31-15-7-11-19-35(31)49)53(43)54-44(28-22-24-38(56-2)40(26-28)58-4)42(30-14-6-10-18-34(30)48)52-46(54)32-16-8-12-20-36(32)50/h5-26H,1-4H3
InChIKeyPAAMPYGNAGOKND-UHFFFAOYSA-N
XLogP13.04
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.61
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-4,5-diphenylimidazole
CID 154000803
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
CID 68946720
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
1-(2-chlorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)isoquinoline
CID 1351974
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
[4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol
CID 166512006
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-3,4-dimethoxyaniline
CID 66800170
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole
CID 91579106

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole?
The IUPAC name of 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole (CID 14618329) is 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole.
What is the SMILES notation for 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole?
The canonical SMILES for 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole is COc1ccc(-c2c(-c3ccccc3Cl)nc(-c3ccccc3Cl)n2-n2c(-c3ccccc3Cl)nc(-c3ccccc3Cl)c2-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole?
The InChIKey is PAAMPYGNAGOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34Cl4N4O4/c1-55-37-23-21-27(25-39(37)57-3)43-41(29-13-5-9-17-33(29)47)51-45(31-15-7-11-19-35(31)49)53(43)54-44(28-22-24-38(56-2)40(26-28)58-4)42(30-14-6-10-18-34(30)48)52-46(54)32-16-8-12-20-36(32)50/h5-26H,1-4H3.
What are the key properties of 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole?
1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole has a molecular weight of 848.61 g/mol, XLogP of 13.04, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazol-1-yl]-2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)imidazole is sourced from PubChem (CID 14618329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).