2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole

C16H13Cl3N2 — CID 115552805

IUPAC2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(C(C)Cl)n(-c3cc(Cl)ccc3Cl)c12
InChIInChI=1S/C16H13Cl3N2/c1-9-4-3-5-13-15(9)21(16(20-13)10(2)17)14-8-11(18)6-7-12(14)19/h3-8,10H,1-2H3
InChIKeyJAHFJDWMPVLOGM-UHFFFAOYSA-N
MW339.65 g/mol
LogP5.94
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole

2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole (PubChem CID 115552805) has the molecular formula C16H13Cl3N2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole
PubChem CID115552805
Molecular FormulaC16H13Cl3N2
Molecular Weight339.65 g/mol
Exact Mass338.01
IUPAC Name2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(C(C)Cl)n(-c3cc(Cl)ccc3Cl)c12
InChIInChI=1S/C16H13Cl3N2/c1-9-4-3-5-13-15(9)21(16(20-13)10(2)17)14-8-11(18)6-7-12(14)19/h3-8,10H,1-2H3
InChIKeyJAHFJDWMPVLOGM-UHFFFAOYSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 55.94
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-(3,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552926
1-(2-bromo-5-chlorophenyl)-7-chloro-2-(1-chloroethyl)benzimidazole
CID 81279817
7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole
CID 107637996
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)-7-methylbenzimidazole
CID 115552861
2-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553407
7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 43667046
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
2-(1-chloroethyl)-1-(3-ethylpentan-3-yl)-7-methylbenzimidazole
CID 115553621
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole (CID 115552805) is 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole is Cc1cccc2nc(C(C)Cl)n(-c3cc(Cl)ccc3Cl)c12.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole?
The InChIKey is JAHFJDWMPVLOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2/c1-9-4-3-5-13-15(9)21(16(20-13)10(2)17)14-8-11(18)6-7-12(14)19/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole?
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole has a molecular weight of 339.65 g/mol, XLogP of 5.94, 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-(2,5-dichlorophenyl)-7-methylbenzimidazole is sourced from PubChem (CID 115552805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).