2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole

C15H10Cl2F2N2 — CID 107529661

IUPAC2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1-c1cc(F)ccc1Cl
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-14-11(19)3-2-4-12(14)21(15)13-7-9(18)5-6-10(13)17/h2-8H,1H3
InChIKeyVCINNUSLZLOQMN-UHFFFAOYSA-N
MW327.16 g/mol
LogP5.26
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole

2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole (PubChem CID 107529661) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
PubChem CID107529661
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1-c1cc(F)ccc1Cl
InChIInChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-14-11(19)3-2-4-12(14)21(15)13-7-9(18)5-6-10(13)17/h2-8H,1H3
InChIKeyVCINNUSLZLOQMN-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

2-(1-chloroethyl)-4-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 63546689
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
2-(1-chloroethyl)-1-(2-ethylphenyl)-4-fluorobenzimidazole
CID 60788519
1-(2-bromo-5-methylphenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 82746511
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
2-(1-chloroethyl)-4-fluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 60789844
1-(3-bromophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 60790109
1-(4-bromo-3-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 65437772
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 104780060
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637877
2-(1-chloroethyl)-1-(2-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719293
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole (CID 107529661) is 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole is CC(Cl)c1nc2c(F)cccc2n1-c1cc(F)ccc1Cl.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole?
The InChIKey is VCINNUSLZLOQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c1-8(16)15-20-14-11(19)3-2-4-12(14)21(15)13-7-9(18)5-6-10(13)17/h2-8H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole?
2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole 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 2-(1-chloroethyl)-1-(2-chloro-5-fluorophenyl)-4-fluorobenzimidazole is sourced from PubChem (CID 107529661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).