4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole

C20H20F2N2OS — CID 22130566

IUPAC4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1[nH]c(COCc2ccccc2)nc1Sc1cc(F)cc(F)c1
InChIInChI=1S/C20H20F2N2OS/c1-13(2)19-20(26-17-9-15(21)8-16(22)10-17)24-18(23-19)12-25-11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyQRIKVWPKUVSCDL-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.68
Rot. Bonds7

About 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole

4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole (PubChem CID 22130566) has the molecular formula C20H20F2N2OS and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole
PubChem CID22130566
Molecular FormulaC20H20F2N2OS
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1[nH]c(COCc2ccccc2)nc1Sc1cc(F)cc(F)c1
InChIInChI=1S/C20H20F2N2OS/c1-13(2)19-20(26-17-9-15(21)8-16(22)10-17)24-18(23-19)12-25-11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyQRIKVWPKUVSCDL-UHFFFAOYSA-N
XLogP5.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole (CID 22130566) is 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole is CC(C)c1[nH]c(COCc2ccccc2)nc1Sc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole?
The InChIKey is QRIKVWPKUVSCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2OS/c1-13(2)19-20(26-17-9-15(21)8-16(22)10-17)24-18(23-19)12-25-11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole?
4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole has a molecular weight of 374.46 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)sulfanyl-2-(phenylmethoxymethyl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 22130566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).