6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole

C16H13Br2ClN2 — CID 107576139

IUPAC6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole
SMILESCc1cc(Br)cc(-n2c(C(C)Cl)nc3ccc(Br)cc32)c1
InChIInChI=1S/C16H13Br2ClN2/c1-9-5-12(18)7-13(6-9)21-15-8-11(17)3-4-14(15)20-16(21)10(2)19/h3-8,10H,1-2H3
InChIKeyXNDCPOBLDOFTAF-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.16
Rot. Bonds2

About 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole

6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole (PubChem CID 107576139) has the molecular formula C16H13Br2ClN2 and a molecular weight of 428.56 g/mol. Its IUPAC name is 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole
PubChem CID107576139
Molecular FormulaC16H13Br2ClN2
Molecular Weight428.56 g/mol
Exact Mass425.91
IUPAC Name6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole
SMILESCc1cc(Br)cc(-n2c(C(C)Cl)nc3ccc(Br)cc32)c1
InChIInChI=1S/C16H13Br2ClN2/c1-9-5-12(18)7-13(6-9)21-15-8-11(17)3-4-14(15)20-16(21)10(2)19/h3-8,10H,1-2H3
InChIKeyXNDCPOBLDOFTAF-UHFFFAOYSA-N
XLogP6.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.16
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

6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole
CID 107368455
2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667104
6-bromo-2-(1-chloroethyl)-1-(4-chloro-3-fluorophenyl)benzimidazole
CID 65346315
6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
CID 107576204
6-bromo-2-(1-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 65346641
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 104780064
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
1-(4-bromo-3-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471037
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66088494
1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107576187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole?
The IUPAC name of 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole (CID 107576139) is 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole is Cc1cc(Br)cc(-n2c(C(C)Cl)nc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole?
The InChIKey is XNDCPOBLDOFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClN2/c1-9-5-12(18)7-13(6-9)21-15-8-11(17)3-4-14(15)20-16(21)10(2)19/h3-8,10H,1-2H3.
What are the key properties of 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole?
6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole has a molecular weight of 428.56 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole is sourced from PubChem (CID 107576139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).