2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole

C28H30Cl2N2 — CID 90751934

IUPAC2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)c2ccccc2)c(C)c1
InChIInChI=1S/C28H30Cl2N2/c1-18-14-20(3)25(21(4)15-18)31-12-13-32(26-22(5)16-19(2)17-23(26)6)27(31)28(29,30)24-10-8-7-9-11-24/h7-17,27H,1-6H3
InChIKeyDWVSMOJWLGJGJA-UHFFFAOYSA-N
MW465.47 g/mol
LogP7.99
Rot. Bonds4

About 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole

2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole (PubChem CID 90751934) has the molecular formula C28H30Cl2N2 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole.

Molecular Properties

Compound Name2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
PubChem CID90751934
Molecular FormulaC28H30Cl2N2
Molecular Weight465.47 g/mol
Exact Mass464.18
IUPAC Name2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
SMILESCc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)c2ccccc2)c(C)c1
InChIInChI=1S/C28H30Cl2N2/c1-18-14-20(3)25(21(4)15-18)31-12-13-32(26-22(5)16-19(2)17-23(26)6)27(31)28(29,30)24-10-8-7-9-11-24/h7-17,27H,1-6H3
InChIKeyDWVSMOJWLGJGJA-UHFFFAOYSA-N
XLogP7.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-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

2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 11774625
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole-2-thiol
CID 71730840
2-(2-chloropropan-2-yl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 138636909
CID 139244826
CID 139244826
2-phenyl-1-(2,4,6-trimethylphenyl)pyrrole
CID 101477910
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1,3-diphenyl-2-(trichloromethyl)-2H-imidazole
CID 66876684
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
benzene;tetrachloromethane;toluene
CID 172748154
(4S)-4-phenyl-1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium
CID 56834307
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
2,2-dimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazole
CID 134386547

Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The IUPAC name of 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole (CID 90751934) is 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole.
What is the SMILES notation for 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The canonical SMILES for 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole is Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
The InChIKey is DWVSMOJWLGJGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2/c1-18-14-20(3)25(21(4)15-18)31-12-13-32(26-22(5)16-19(2)17-23(26)6)27(31)28(29,30)24-10-8-7-9-11-24/h7-17,27H,1-6H3.
What are the key properties of 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole?
2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole has a molecular weight of 465.47 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(phenyl)methyl]-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole is sourced from PubChem (CID 90751934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).