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

C17H16Cl2N2 — CID 43667107

IUPAC7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
SMILESCc1cc(C)cc(-n2c(CCCl)nc3cccc(Cl)c32)c1
InChIInChI=1S/C17H16Cl2N2/c1-11-8-12(2)10-13(9-11)21-16(6-7-18)20-15-5-3-4-14(19)17(15)21/h3-5,8-10H,6-7H2,1-2H3
InChIKeyRNESKGULTJSQND-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.08
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole (PubChem CID 43667107) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
PubChem CID43667107
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
SMILESCc1cc(C)cc(-n2c(CCCl)nc3cccc(Cl)c32)c1
InChIInChI=1S/C17H16Cl2N2/c1-11-8-12(2)10-13(9-11)21-16(6-7-18)20-15-5-3-4-14(19)17(15)21/h3-5,8-10H,6-7H2,1-2H3
InChIKeyRNESKGULTJSQND-UHFFFAOYSA-N
XLogP5.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.08
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

7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 43667000
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
1-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553491
2-(2-chloroethyl)-1-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924
2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole
CID 115552870
1-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 104780083
2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 43667658
7-chloro-2-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole (CID 43667107) is 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole is Cc1cc(C)cc(-n2c(CCCl)nc3cccc(Cl)c32)c1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
The InChIKey is RNESKGULTJSQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-11-8-12(2)10-13(9-11)21-16(6-7-18)20-15-5-3-4-14(19)17(15)21/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole is sourced from PubChem (CID 43667107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).