4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole

C10H8BrClN2 — CID 115050538

IUPAC4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrClN2/c1-6-10(14-5-13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeySGAYJTPJLHNWKR-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.80
Rot. Bonds1

About 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole

4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole (PubChem CID 115050538) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole
PubChem CID115050538
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrClN2/c1-6-10(14-5-13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeySGAYJTPJLHNWKR-UHFFFAOYSA-N
XLogP3.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole (CID 115050538) is 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole is Cc1[nH]cnc1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole?
The InChIKey is SGAYJTPJLHNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-6-10(14-5-13-6)7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole?
4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole has a molecular weight of 271.55 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chlorophenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 115050538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).