1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole

C16H13BrCl2N2 — CID 43666812

IUPAC1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H13BrCl2N2/c1-10-8-11(17)2-4-14(10)21-15-5-3-12(19)9-13(15)20-16(21)6-7-18/h2-5,8-9H,6-7H2,1H3
InChIKeyNGXKRIUWVOMKRE-UHFFFAOYSA-N
MW384.10 g/mol
LogP5.53
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole

1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole (PubChem CID 43666812) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
PubChem CID43666812
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCCl)nc2cc(Cl)ccc21
InChIInChI=1S/C16H13BrCl2N2/c1-10-8-11(17)2-4-14(10)21-15-5-3-12(19)9-13(15)20-16(21)6-7-18/h2-5,8-9H,6-7H2,1H3
InChIKeyNGXKRIUWVOMKRE-UHFFFAOYSA-N
XLogP5.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 55.53
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-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708
2-(2-chloroethyl)-1-(4-chloro-2-iodophenyl)-5-methylbenzimidazole
CID 107637947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole (CID 43666812) is 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole is Cc1cc(Br)ccc1-n1c(CCCl)nc2cc(Cl)ccc21.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
The InChIKey is NGXKRIUWVOMKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c1-10-8-11(17)2-4-14(10)21-15-5-3-12(19)9-13(15)20-16(21)6-7-18/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole?
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole has a molecular weight of 384.10 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 43666812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).