7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole

C15H10Cl2F2N2 — CID 43666940

IUPAC7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3cccc(Cl)c32)cc1F
InChIInChI=1S/C15H10Cl2F2N2/c16-7-6-14-20-13-3-1-2-10(17)15(13)21(14)9-4-5-11(18)12(19)8-9/h1-5,8H,6-7H2
InChIKeyQUWSDAPOBLPOBU-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.74
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole (PubChem CID 43666940) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
PubChem CID43666940
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
SMILESFc1ccc(-n2c(CCCl)nc3cccc(Cl)c32)cc1F
InChIInChI=1S/C15H10Cl2F2N2/c16-7-6-14-20-13-3-1-2-10(17)15(13)21(14)9-4-5-11(18)12(19)8-9/h1-5,8H,6-7H2
InChIKeyQUWSDAPOBLPOBU-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.74
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-(3-iodophenyl)benzimidazole
CID 43666832
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 43667000
2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole
CID 63545911
1-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 104780083
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
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-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole (CID 43666940) is 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole is Fc1ccc(-n2c(CCCl)nc3cccc(Cl)c32)cc1F.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole?
The InChIKey is QUWSDAPOBLPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c16-7-6-14-20-13-3-1-2-10(17)15(13)21(14)9-4-5-11(18)12(19)8-9/h1-5,8H,6-7H2.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole has a molecular weight of 327.16 g/mol, XLogP of 4.74, 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-(3,4-difluorophenyl)benzimidazole is sourced from PubChem (CID 43666940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).