2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole

C16H14Cl2N2 — CID 43666722

IUPAC2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2-c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2/c1-10-6-7-15-14(8-10)19-16(11(2)17)20(15)13-5-3-4-12(18)9-13/h3-9,11H,1-2H3
InChIKeyQWKJNTJSJQCUDE-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.29
Rot. Bonds2

About 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole

2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole (PubChem CID 43666722) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
PubChem CID43666722
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(C(C)Cl)n2-c1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2/c1-10-6-7-15-14(8-10)19-16(11(2)17)20(15)13-5-3-4-12(18)9-13/h3-9,11H,1-2H3
InChIKeyQWKJNTJSJQCUDE-UHFFFAOYSA-N
XLogP5.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.29
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

2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
1-(4-bromo-3-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107614194
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
2-(1-chloroethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43666710
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66110811
2-(1-chloroethyl)-3-(3-chlorophenyl)benzimidazole-5-carbonitrile
CID 104715320
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole (CID 43666722) is 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(C(C)Cl)n2-c1cccc(Cl)c1.
What is the InChIKey of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole?
The InChIKey is QWKJNTJSJQCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-10-6-7-15-14(8-10)19-16(11(2)17)20(15)13-5-3-4-12(18)9-13/h3-9,11H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole?
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole has a molecular weight of 305.21 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole is sourced from PubChem (CID 43666722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).