5-(2-bromophenyl)-2-chloro-1-methylimidazole

C10H8BrClN2 — CID 117259928

IUPAC5-(2-bromophenyl)-2-chloro-1-methylimidazole
SMILESCn1c(-c2ccccc2Br)cnc1Cl
InChIInChI=1S/C10H8BrClN2/c1-14-9(6-13-10(14)12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyADEOVCOLMPYUCX-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.50
Rot. Bonds1

About 5-(2-bromophenyl)-2-chloro-1-methylimidazole

5-(2-bromophenyl)-2-chloro-1-methylimidazole (PubChem CID 117259928) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-chloro-1-methylimidazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-chloro-1-methylimidazole
PubChem CID117259928
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name5-(2-bromophenyl)-2-chloro-1-methylimidazole
SMILESCn1c(-c2ccccc2Br)cnc1Cl
InChIInChI=1S/C10H8BrClN2/c1-14-9(6-13-10(14)12)7-4-2-3-5-8(7)11/h2-6H,1H3
InChIKeyADEOVCOLMPYUCX-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(2-chlorophenyl)-1-methylimidazole
CID 117259931
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913
5-(2-bromophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 71564770
2-(2-bromophenyl)-1-methylindole
CID 127263547
2-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazole
CID 117259923
2,5-dichloro-1-methylimidazole
CID 21298109
4-(2-bromophenyl)-6-chloro-5-methylpyrimidine
CID 115503636
3-(2-bromophenyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 163257068
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
5-(2-bromophenyl)-2-methylpyridine
CID 156556672
5-(4-bromophenyl)-2-chloro-1-ethylimidazole
CID 117260161
2-bromo-5-(2-chlorophenyl)-1,3-oxazole
CID 117259589

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-chloro-1-methylimidazole?
The IUPAC name of 5-(2-bromophenyl)-2-chloro-1-methylimidazole (CID 117259928) is 5-(2-bromophenyl)-2-chloro-1-methylimidazole.
What is the SMILES notation for 5-(2-bromophenyl)-2-chloro-1-methylimidazole?
The canonical SMILES for 5-(2-bromophenyl)-2-chloro-1-methylimidazole is Cn1c(-c2ccccc2Br)cnc1Cl.
What is the InChIKey of 5-(2-bromophenyl)-2-chloro-1-methylimidazole?
The InChIKey is ADEOVCOLMPYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c1-14-9(6-13-10(14)12)7-4-2-3-5-8(7)11/h2-6H,1H3.
What are the key properties of 5-(2-bromophenyl)-2-chloro-1-methylimidazole?
5-(2-bromophenyl)-2-chloro-1-methylimidazole has a molecular weight of 271.55 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-chloro-1-methylimidazole is sourced from PubChem (CID 117259928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).