6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole

C15H10Cl2F2N2 — CID 115470912

IUPAC6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1-c1c(F)cccc1F
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-12-6-5-9(17)7-13(12)21(15)14-10(18)3-2-4-11(14)19/h2-8H,1H3
InChIKeyXNPYWXMHPLJJPO-UHFFFAOYSA-N
MW327.16 g/mol
LogP5.26
Rot. Bonds2

About 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole

6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole (PubChem CID 115470912) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
PubChem CID115470912
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1-c1c(F)cccc1F
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-12-6-5-9(17)7-13(12)21(15)14-10(18)3-2-4-11(14)19/h2-8H,1H3
InChIKeyXNPYWXMHPLJJPO-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.16
LogP ≤ 55.26
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

6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 115470923
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
1-(2-bromo-4-chlorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471762
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
6-bromo-2-(1-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 65346641
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 81279916
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole (CID 115470912) is 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1-c1c(F)cccc1F.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole?
The InChIKey is XNPYWXMHPLJJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-12-6-5-9(17)7-13(12)21(15)14-10(18)3-2-4-11(14)19/h2-8H,1H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole?
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole has a molecular weight of 327.16 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole is sourced from PubChem (CID 115470912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).