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

C15H10Cl2F2N2 — CID 104837748

IUPAC4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1-c1cccc(F)c1F
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-14-9(17)4-2-7-12(14)21(15)11-6-3-5-10(18)13(11)19/h2-8H,1H3
InChIKeySUVGOQVWNWYOSN-UHFFFAOYSA-N
MW327.16 g/mol
LogP5.26
Rot. Bonds2

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

4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole (PubChem CID 104837748) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
PubChem CID104837748
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2c(Cl)cccc2n1-c1cccc(F)c1F
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-14-9(17)4-2-7-12(14)21(15)11-6-3-5-10(18)13(11)19/h2-8H,1H3
InChIKeySUVGOQVWNWYOSN-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

4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 61075050
2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 63546689
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
CID 107529661
2-(1-chloroethyl)-1-(2-ethylphenyl)-4-fluorobenzimidazole
CID 60788519
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601557
2-(1-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719293
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
5-(1-chloroethyl)-6-(2,3-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79276824
4-chloro-2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 104837546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole (CID 104837748) is 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole is CC(Cl)c1nc2c(Cl)cccc2n1-c1cccc(F)c1F.
What is the InChIKey of 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
The InChIKey is SUVGOQVWNWYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-14-9(17)4-2-7-12(14)21(15)11-6-3-5-10(18)13(11)19/h2-8H,1H3.
What are the key properties of 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole?
4-chloro-2-(1-chloroethyl)-1-(2,3-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 4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole is sourced from PubChem (CID 104837748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).