3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol

C18H18FN3OS — CID 11121456

IUPAC3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCO
InChIInChI=1S/C18H18FN3OS/c1-24-18-21-16(13-3-5-15(19)6-4-13)17(22(18)11-2-12-23)14-7-9-20-10-8-14/h3-10,23H,2,11-12H2,1H3
InChIKeyATJPHZBEVQRHGY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.86
Rot. Bonds6

About 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol

3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol (PubChem CID 11121456) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol
PubChem CID11121456
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCO
InChIInChI=1S/C18H18FN3OS/c1-24-18-21-16(13-3-5-15(19)6-4-13)17(22(18)11-2-12-23)14-7-9-20-10-8-14/h3-10,23H,2,11-12H2,1H3
InChIKeyATJPHZBEVQRHGY-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol (CID 11121456) is 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol is CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCO.
What is the InChIKey of 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol?
The InChIKey is ATJPHZBEVQRHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-24-18-21-16(13-3-5-15(19)6-4-13)17(22(18)11-2-12-23)14-7-9-20-10-8-14/h3-10,23H,2,11-12H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol?
3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol has a molecular weight of 343.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)-2-methylsulfanyl-5-pyridin-4-ylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 11121456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).