1-(2-bromo-6-chlorophenyl)imidazole

C9H6BrClN2 — CID 169336697

IUPAC1-(2-bromo-6-chlorophenyl)imidazole
SMILESClc1cccc(Br)c1-n1ccnc1
InChIInChI=1S/C9H6BrClN2/c10-7-2-1-3-8(11)9(7)13-5-4-12-6-13/h1-6H
InChIKeyRKLDVQSWLMAZAC-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.29
Rot. Bonds1

About 1-(2-bromo-6-chlorophenyl)imidazole

1-(2-bromo-6-chlorophenyl)imidazole (PubChem CID 169336697) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)imidazole.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)imidazole
PubChem CID169336697
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name1-(2-bromo-6-chlorophenyl)imidazole
SMILESClc1cccc(Br)c1-n1ccnc1
InChIInChI=1S/C9H6BrClN2/c10-7-2-1-3-8(11)9(7)13-5-4-12-6-13/h1-6H
InChIKeyRKLDVQSWLMAZAC-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141435532
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3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
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CID 43673619
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
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CID 63307734
N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)imidazole?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)imidazole (CID 169336697) is 1-(2-bromo-6-chlorophenyl)imidazole.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)imidazole?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)imidazole is Clc1cccc(Br)c1-n1ccnc1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)imidazole?
The InChIKey is RKLDVQSWLMAZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c10-7-2-1-3-8(11)9(7)13-5-4-12-6-13/h1-6H.
What are the key properties of 1-(2-bromo-6-chlorophenyl)imidazole?
1-(2-bromo-6-chlorophenyl)imidazole has a molecular weight of 257.52 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)imidazole is sourced from PubChem (CID 169336697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).