1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone

C16H11ClF2N2OS — CID 39005978

IUPAC1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
SMILESO=C(CSc1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N2OS/c17-11-7-5-10(6-8-11)14(22)9-23-16-20-12-3-1-2-4-13(12)21(16)15(18)19/h1-8,15H,9H2
InChIKeyBGYSMCIZLIUGNL-UHFFFAOYSA-N
MW352.79 g/mol
LogP5.06
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone

1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone (PubChem CID 39005978) has the molecular formula C16H11ClF2N2OS and a molecular weight of 352.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
PubChem CID39005978
Molecular FormulaC16H11ClF2N2OS
Molecular Weight352.79 g/mol
Exact Mass352.02
IUPAC Name1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
SMILESO=C(CSc1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N2OS/c17-11-7-5-10(6-8-11)14(22)9-23-16-20-12-3-1-2-4-13(12)21(16)15(18)19/h1-8,15H,9H2
InChIKeyBGYSMCIZLIUGNL-UHFFFAOYSA-N
XLogP5.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.79
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
3-[(2S)-butan-2-yl]-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2624377
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 33246091
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
CID 39006163
2-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 17419395
N-[(5-chlorothiophen-2-yl)methyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 24633818
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(3,3-dimethylbutyl)acetamide
CID 87019175
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
ethyl 5-[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 24524485
N-(cyclopropylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 33247390
1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826033

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone (CID 39005978) is 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone is O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone?
The InChIKey is BGYSMCIZLIUGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2OS/c17-11-7-5-10(6-8-11)14(22)9-23-16-20-12-3-1-2-4-13(12)21(16)15(18)19/h1-8,15H,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone has a molecular weight of 352.79 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 39005978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).