4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole

C17H16Cl2N2 — CID 104837546

IUPAC4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
SMILESCc1cc(C)cc(-n2c(C(C)Cl)nc3c(Cl)cccc32)c1
InChIInChI=1S/C17H16Cl2N2/c1-10-7-11(2)9-13(8-10)21-15-6-4-5-14(19)16(15)20-17(21)12(3)18/h4-9,12H,1-3H3
InChIKeyKRVNERGXVUKIOS-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.60
Rot. Bonds2

About 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole

4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole (PubChem CID 104837546) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
PubChem CID104837546
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
SMILESCc1cc(C)cc(-n2c(C(C)Cl)nc3c(Cl)cccc32)c1
InChIInChI=1S/C17H16Cl2N2/c1-10-7-11(2)9-13(8-10)21-15-6-4-5-14(19)16(15)20-17(21)12(3)18/h4-9,12H,1-3H3
InChIKeyKRVNERGXVUKIOS-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667104
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601557
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
4-chloro-2-(1-chloroethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 104837733
4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66110811
4-chloro-2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]benzimidazole
CID 104838055
4-[[4-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 104837876
1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 60790109
4-chloro-2-(1-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 104838172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole (CID 104837546) is 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole is Cc1cc(C)cc(-n2c(C(C)Cl)nc3c(Cl)cccc32)c1.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
The InChIKey is KRVNERGXVUKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-10-7-11(2)9-13(8-10)21-15-6-4-5-14(19)16(15)20-17(21)12(3)18/h4-9,12H,1-3H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole is sourced from PubChem (CID 104837546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).