1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole

C15H11BrCl2N2 — CID 43667170

IUPAC1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1-c1ccccc1Br
InChIInChI=1S/C15H11BrCl2N2/c1-9(17)15-19-12-8-10(18)6-7-14(12)20(15)13-5-3-2-4-11(13)16/h2-9H,1H3
InChIKeyZHWYOIPGPPWSFJ-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.74
Rot. Bonds2

About 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole

1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole (PubChem CID 43667170) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
PubChem CID43667170
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Cl)ccc2n1-c1ccccc1Br
InChIInChI=1S/C15H11BrCl2N2/c1-9(17)15-19-12-8-10(18)6-7-14(12)20(15)13-5-3-2-4-11(13)16/h2-9H,1H3
InChIKeyZHWYOIPGPPWSFJ-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.74
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

5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
1-(2-bromo-4-chlorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471762
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284
1-(3-bromo-2-methylphenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 107637661
1-(2-bromophenyl)-2-(1-chloroethyl)-6,7-difluorobenzimidazole
CID 63547596

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole?
The IUPAC name of 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole (CID 43667170) is 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole?
The canonical SMILES for 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole is CC(Cl)c1nc2cc(Cl)ccc2n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole?
The InChIKey is ZHWYOIPGPPWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c1-9(17)15-19-12-8-10(18)6-7-14(12)20(15)13-5-3-2-4-11(13)16/h2-9H,1H3.
What are the key properties of 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole?
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole has a molecular weight of 370.08 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole is sourced from PubChem (CID 43667170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).