5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole

C16H10BrCl3N2 — CID 141108787

IUPAC5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole
SMILESClc1ccc(-n2c(CBr)cnc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H10BrCl3N2/c17-8-13-9-21-16(14-6-3-11(19)7-15(14)20)22(13)12-4-1-10(18)2-5-12/h1-7,9H,8H2
InChIKeyNNZDFVHZGZURBV-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.39
Rot. Bonds3

About 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole

5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole (PubChem CID 141108787) has the molecular formula C16H10BrCl3N2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole.

Molecular Properties

Compound Name5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole
PubChem CID141108787
Molecular FormulaC16H10BrCl3N2
Molecular Weight416.53 g/mol
Exact Mass413.91
IUPAC Name5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole
SMILESClc1ccc(-n2c(CBr)cnc2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H10BrCl3N2/c17-8-13-9-21-16(14-6-3-11(19)7-15(14)20)22(13)12-4-1-10(18)2-5-12/h1-7,9H,8H2
InChIKeyNNZDFVHZGZURBV-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
CID 69094460
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine
CID 141103308
5-[4-[2-(2,4-dichlorophenyl)-5-methylimidazol-1-yl]phenyl]-1-methyltetrazole
CID 70647697
[1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)pyrrol-2-yl]methanol
CID 90910629
2-bromo-1-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]ethanone
CID 86592993
2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
CID 69190558
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanylimidazole
CID 69094456
1-(4-bromobutyl)-2-(2,4-dichlorophenyl)imidazole
CID 69251511
3-(bromomethyl)-5-(2,4-dichlorophenyl)-4-propyl-1,2,4-triazole
CID 113302502
2-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-ethylpropan-2-amine
CID 69403255
5-(bromomethyl)-1-(2,4-dichlorophenyl)triazole
CID 130171318
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole?
The IUPAC name of 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole (CID 141108787) is 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole.
What is the SMILES notation for 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole?
The canonical SMILES for 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole is Clc1ccc(-n2c(CBr)cnc2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole?
The InChIKey is NNZDFVHZGZURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl3N2/c17-8-13-9-21-16(14-6-3-11(19)7-15(14)20)22(13)12-4-1-10(18)2-5-12/h1-7,9H,8H2.
What are the key properties of 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole?
5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole has a molecular weight of 416.53 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole is sourced from PubChem (CID 141108787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).