3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole

C22H18BrClN2 — CID 142423515

IUPAC3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole
SMILESCC1C(c2ccc(Cl)cc2)=NC(c2ccccc2)N1c1ccc(Br)cc1
InChIInChI=1S/C22H18BrClN2/c1-15-21(16-7-11-19(24)12-8-16)25-22(17-5-3-2-4-6-17)26(15)20-13-9-18(23)10-14-20/h2-15,22H,1H3
InChIKeyLCGKBZGMJVQSRD-UHFFFAOYSA-N
MW425.76 g/mol
LogP6.50
Rot. Bonds3

About 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole

3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole (PubChem CID 142423515) has the molecular formula C22H18BrClN2 and a molecular weight of 425.76 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole
PubChem CID142423515
Molecular FormulaC22H18BrClN2
Molecular Weight425.76 g/mol
Exact Mass424.03
IUPAC Name3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole
SMILESCC1C(c2ccc(Cl)cc2)=NC(c2ccccc2)N1c1ccc(Br)cc1
InChIInChI=1S/C22H18BrClN2/c1-15-21(16-7-11-19(24)12-8-16)25-22(17-5-3-2-4-6-17)26(15)20-13-9-18(23)10-14-20/h2-15,22H,1H3
InChIKeyLCGKBZGMJVQSRD-UHFFFAOYSA-N
XLogP6.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.76
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
The IUPAC name of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole (CID 142423515) is 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole is CC1C(c2ccc(Cl)cc2)=NC(c2ccccc2)N1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
The InChIKey is LCGKBZGMJVQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2/c1-15-21(16-7-11-19(24)12-8-16)25-22(17-5-3-2-4-6-17)26(15)20-13-9-18(23)10-14-20/h2-15,22H,1H3.
What are the key properties of 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole?
3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole has a molecular weight of 425.76 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-2-phenyl-2,4-dihydroimidazole is sourced from PubChem (CID 142423515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).