2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole

C16H12BrClN2 — CID 174448827

IUPAC2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole
SMILESClc1ccc(CC2C=NC(c3cccc(Br)c3)=N2)cc1
InChIInChI=1S/C16H12BrClN2/c17-13-3-1-2-12(9-13)16-19-10-15(20-16)8-11-4-6-14(18)7-5-11/h1-7,9-10,15H,8H2
InChIKeyUIXOSESKWCFRIK-UHFFFAOYSA-N
MW347.64 g/mol
LogP4.54
Rot. Bonds3

About 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole

2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole (PubChem CID 174448827) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole
PubChem CID174448827
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole
SMILESClc1ccc(CC2C=NC(c3cccc(Br)c3)=N2)cc1
InChIInChI=1S/C16H12BrClN2/c17-13-3-1-2-12(9-13)16-19-10-15(20-16)8-11-4-6-14(18)7-5-11/h1-7,9-10,15H,8H2
InChIKeyUIXOSESKWCFRIK-UHFFFAOYSA-N
XLogP4.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)methyl]-2-(3-iodophenyl)-4H-imidazole
CID 174433803
[3-[4-[(4-bromophenyl)methyl]-4H-imidazol-2-yl]phenyl]methanamine
CID 174448095
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
1-(3-bromophenyl)-7-[(4-chlorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 69362971
3-(3-bromophenyl)-5-(chloromethyl)pyridine
CID 165454262
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
CID 57468750
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(3-bromophenyl)-6-(4-chlorophenyl)-4-ethylsulfanylpyridine
CID 14551269
4-(3-bromophenyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 79831454

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole?
The IUPAC name of 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole (CID 174448827) is 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole?
The canonical SMILES for 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole is Clc1ccc(CC2C=NC(c3cccc(Br)c3)=N2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole?
The InChIKey is UIXOSESKWCFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c17-13-3-1-2-12(9-13)16-19-10-15(20-16)8-11-4-6-14(18)7-5-11/h1-7,9-10,15H,8H2.
What are the key properties of 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole?
2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole has a molecular weight of 347.64 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-[(4-chlorophenyl)methyl]-4H-imidazole is sourced from PubChem (CID 174448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).