1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole

C20H20Cl2N2 — CID 70554052

IUPAC1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
SMILESCC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C20H20Cl2N2/c1-20(14-24-11-10-23-15-24,12-16-2-6-18(21)7-3-16)13-17-4-8-19(22)9-5-17/h2-11,15H,12-14H2,1H3
InChIKeyWJPWOKQVULKKHC-UHFFFAOYSA-N
MW359.30 g/mol
LogP5.68
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole

1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole (PubChem CID 70554052) has the molecular formula C20H20Cl2N2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
PubChem CID70554052
Molecular FormulaC20H20Cl2N2
Molecular Weight359.30 g/mol
Exact Mass358.10
IUPAC Name1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
SMILESCC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C20H20Cl2N2/c1-20(14-24-11-10-23-15-24,12-16-2-6-18(21)7-3-16)13-17-4-8-19(22)9-5-17/h2-11,15H,12-14H2,1H3
InChIKeyWJPWOKQVULKKHC-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22763065
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018
1-[2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22762995
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
CID 10613637
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole
CID 22762801
1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole
CID 22763007
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol
CID 70530603

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole?
The IUPAC name of 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole (CID 70554052) is 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole?
The canonical SMILES for 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole is CC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)Cn1ccnc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole?
The InChIKey is WJPWOKQVULKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2/c1-20(14-24-11-10-23-15-24,12-16-2-6-18(21)7-3-16)13-17-4-8-19(22)9-5-17/h2-11,15H,12-14H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole?
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole has a molecular weight of 359.30 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole is sourced from PubChem (CID 70554052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).