1-[5-bromo-2-(chloromethyl)phenyl]imidazole

C10H8BrClN2 — CID 43174120

IUPAC1-[5-bromo-2-(chloromethyl)phenyl]imidazole
SMILESClCc1ccc(Br)cc1-n1ccnc1
InChIInChI=1S/C10H8BrClN2/c11-9-2-1-8(6-12)10(5-9)14-4-3-13-7-14/h1-5,7H,6H2
InChIKeySQESSYINCGUDQC-UHFFFAOYSA-N
MW271.55 g/mol
LogP3.37
Rot. Bonds2

About 1-[5-bromo-2-(chloromethyl)phenyl]imidazole

1-[5-bromo-2-(chloromethyl)phenyl]imidazole (PubChem CID 43174120) has the molecular formula C10H8BrClN2 and a molecular weight of 271.55 g/mol. Its IUPAC name is 1-[5-bromo-2-(chloromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[5-bromo-2-(chloromethyl)phenyl]imidazole
PubChem CID43174120
Molecular FormulaC10H8BrClN2
Molecular Weight271.55 g/mol
Exact Mass269.96
IUPAC Name1-[5-bromo-2-(chloromethyl)phenyl]imidazole
SMILESClCc1ccc(Br)cc1-n1ccnc1
InChIInChI=1S/C10H8BrClN2/c11-9-2-1-8(6-12)10(5-9)14-4-3-13-7-14/h1-5,7H,6H2
InChIKeySQESSYINCGUDQC-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.55
LogP ≤ 53.37
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-[5-bromo-2-(chloromethyl)phenyl]pyrazole
CID 43365163
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine
CID 82968273
5-bromo-2-imidazol-1-ylbenzenecarbothioamide
CID 114892137
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 82968272
(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone
CID 21497412
1-[5-chloro-2-[(3-chlorophenyl)methyl]phenyl]imidazole
CID 152746844
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
4-bromo-3-imidazol-1-ylpyridine
CID 84688960
3,4-di(imidazol-1-yl)aniline
CID 129289428

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(chloromethyl)phenyl]imidazole?
The IUPAC name of 1-[5-bromo-2-(chloromethyl)phenyl]imidazole (CID 43174120) is 1-[5-bromo-2-(chloromethyl)phenyl]imidazole.
What is the SMILES notation for 1-[5-bromo-2-(chloromethyl)phenyl]imidazole?
The canonical SMILES for 1-[5-bromo-2-(chloromethyl)phenyl]imidazole is ClCc1ccc(Br)cc1-n1ccnc1.
What is the InChIKey of 1-[5-bromo-2-(chloromethyl)phenyl]imidazole?
The InChIKey is SQESSYINCGUDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2/c11-9-2-1-8(6-12)10(5-9)14-4-3-13-7-14/h1-5,7H,6H2.
What are the key properties of 1-[5-bromo-2-(chloromethyl)phenyl]imidazole?
1-[5-bromo-2-(chloromethyl)phenyl]imidazole has a molecular weight of 271.55 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(chloromethyl)phenyl]imidazole is sourced from PubChem (CID 43174120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).