1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole

C15H11BrCl2N2 — CID 43667179

IUPAC1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1-c1ccccc1Br
InChIInChI=1S/C15H11BrCl2N2/c16-10-4-1-2-7-13(10)20-14(8-9-17)19-12-6-3-5-11(18)15(12)20/h1-7H,8-9H2
InChIKeyHNDMQSRZZVZMMG-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.22
Rot. Bonds3

About 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole

1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole (PubChem CID 43667179) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
PubChem CID43667179
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1-c1ccccc1Br
InChIInChI=1S/C15H11BrCl2N2/c16-10-4-1-2-7-13(10)20-14(8-9-17)19-12-6-3-5-11(18)15(12)20/h1-7H,8-9H2
InChIKeyHNDMQSRZZVZMMG-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.22
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-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
CID 63545046
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
2-(2-chloroethyl)-1-(2,6-dibromophenyl)-7-methylbenzimidazole
CID 107601522
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552908
3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 43667000

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole (CID 43667179) is 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole is ClCCc1nc2cccc(Cl)c2n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole?
The InChIKey is HNDMQSRZZVZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c16-10-4-1-2-7-13(10)20-14(8-9-17)19-12-6-3-5-11(18)15(12)20/h1-7H,8-9H2.
What are the key properties of 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole?
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole has a molecular weight of 370.08 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 43667179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).