1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole

C16H13BrCl2N2 — CID 103480742

IUPAC1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
SMILESCc1ccc2nc(C(C)Cl)n(-c3cccc(Cl)c3Br)c2c1
InChIInChI=1S/C16H13BrCl2N2/c1-9-6-7-12-14(8-9)21(16(20-12)10(2)18)13-5-3-4-11(19)15(13)17/h3-8,10H,1-2H3
InChIKeySTUUCACVPLLJBZ-UHFFFAOYSA-N
MW384.10 g/mol
LogP6.05
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole

1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole (PubChem CID 103480742) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
PubChem CID103480742
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
SMILESCc1ccc2nc(C(C)Cl)n(-c3cccc(Cl)c3Br)c2c1
InChIInChI=1S/C16H13BrCl2N2/c1-9-6-7-12-14(8-9)21(16(20-12)10(2)18)13-5-3-4-11(19)15(13)17/h3-8,10H,1-2H3
InChIKeySTUUCACVPLLJBZ-UHFFFAOYSA-N
XLogP6.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 56.05
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-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
CID 43667186
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 104780064
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
1-(2-bromo-4-chlorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471762
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
6-bromo-1-(2-bromo-3-chlorophenyl)benzimidazol-2-amine
CID 103480613
2-(1-chloroethyl)-1-(2-chloro-4-iodophenyl)-5-methylbenzimidazole
CID 107607281
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole (CID 103480742) is 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole is Cc1ccc2nc(C(C)Cl)n(-c3cccc(Cl)c3Br)c2c1.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole?
The InChIKey is STUUCACVPLLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c1-9-6-7-12-14(8-9)21(16(20-12)10(2)18)13-5-3-4-11(19)15(13)17/h3-8,10H,1-2H3.
What are the key properties of 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole?
1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole has a molecular weight of 384.10 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole is sourced from PubChem (CID 103480742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).