2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone

C18H16F2N2O3S — CID 39006163

IUPAC2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CSc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C18H16F2N2O3S/c1-24-11-7-8-16(25-2)12(9-11)15(23)10-26-18-21-13-5-3-4-6-14(13)22(18)17(19)20/h3-9,17H,10H2,1-2H3
InChIKeyUAALIVFVCKTJSD-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.42
Rot. Bonds7

About 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone

2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone (PubChem CID 39006163) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
PubChem CID39006163
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Name2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CSc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C18H16F2N2O3S/c1-24-11-7-8-16(25-2)12(9-11)15(23)10-26-18-21-13-5-3-4-6-14(13)22(18)17(19)20/h3-9,17H,10H2,1-2H3
InChIKeyUAALIVFVCKTJSD-UHFFFAOYSA-N
XLogP4.42
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone (CID 39006163) is 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone is COc1ccc(OC)c(C(=O)CSc2nc3ccccc3n2C(F)F)c1.
What is the InChIKey of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone?
The InChIKey is UAALIVFVCKTJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-24-11-7-8-16(25-2)12(9-11)15(23)10-26-18-21-13-5-3-4-6-14(13)22(18)17(19)20/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone?
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone has a molecular weight of 378.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 39006163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).