[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate

C17H21F2N3O2S — CID 22130587

IUPAC[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate
SMILESCCCn1c(COC(N)=O)nc(C(C)C)c1Sc1cc(F)cc(F)c1
InChIInChI=1S/C17H21F2N3O2S/c1-4-5-22-14(9-24-17(20)23)21-15(10(2)3)16(22)25-13-7-11(18)6-12(19)8-13/h6-8,10H,4-5,9H2,1-3H3,(H2,20,23)
InChIKeyFSDVWYHQWDMKDN-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.44
Rot. Bonds7

About [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate

[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate (PubChem CID 22130587) has the molecular formula C17H21F2N3O2S and a molecular weight of 369.44 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate
PubChem CID22130587
Molecular FormulaC17H21F2N3O2S
Molecular Weight369.44 g/mol
Exact Mass369.13
IUPAC Name[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate
SMILESCCCn1c(COC(N)=O)nc(C(C)C)c1Sc1cc(F)cc(F)c1
InChIInChI=1S/C17H21F2N3O2S/c1-4-5-22-14(9-24-17(20)23)21-15(10(2)3)16(22)25-13-7-11(18)6-12(19)8-13/h6-8,10H,4-5,9H2,1-3H3,(H2,20,23)
InChIKeyFSDVWYHQWDMKDN-UHFFFAOYSA-N
XLogP4.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate?
The IUPAC name of [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate (CID 22130587) is [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate.
What is the SMILES notation for [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate?
The canonical SMILES for [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate is CCCn1c(COC(N)=O)nc(C(C)C)c1Sc1cc(F)cc(F)c1.
What is the InChIKey of [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate?
The InChIKey is FSDVWYHQWDMKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2S/c1-4-5-22-14(9-24-17(20)23)21-15(10(2)3)16(22)25-13-7-11(18)6-12(19)8-13/h6-8,10H,4-5,9H2,1-3H3,(H2,20,23).
What are the key properties of [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate?
[5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate has a molecular weight of 369.44 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)sulfanyl-4-propan-2-yl-1-propylimidazol-2-yl]methyl carbamate is sourced from PubChem (CID 22130587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).