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

C16H14BrClN2 — CID 82766388

IUPAC1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
SMILESCc1ccc(Br)c(-n2c(CCCl)nc3ccccc32)c1
InChIInChI=1S/C16H14BrClN2/c1-11-6-7-12(17)15(10-11)20-14-5-3-2-4-13(14)19-16(20)8-9-18/h2-7,10H,8-9H2,1H3
InChIKeyWDPUDSTWCPETQC-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.88
Rot. Bonds3

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

1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole (PubChem CID 82766388) has the molecular formula C16H14BrClN2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
PubChem CID82766388
Molecular FormulaC16H14BrClN2
Molecular Weight349.66 g/mol
Exact Mass348.00
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
SMILESCc1ccc(Br)c(-n2c(CCCl)nc3ccccc32)c1
InChIInChI=1S/C16H14BrClN2/c1-11-6-7-12(17)15(10-11)20-14-5-3-2-4-13(14)19-16(20)8-9-18/h2-7,10H,8-9H2,1H3
InChIKeyWDPUDSTWCPETQC-UHFFFAOYSA-N
XLogP4.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.88
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-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
CID 82486748
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755
1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole (CID 82766388) is 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole is Cc1ccc(Br)c(-n2c(CCCl)nc3ccccc32)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole?
The InChIKey is WDPUDSTWCPETQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2/c1-11-6-7-12(17)15(10-11)20-14-5-3-2-4-13(14)19-16(20)8-9-18/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole?
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole has a molecular weight of 349.66 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 82766388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).