4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one

C22H19N3O3S — CID 161344645

IUPAC4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
SMILESCc1ccc(C(=O)CCc2cn(-c3ccc(-n4ccc(O)cc4=O)cc3)cn2)s1
InChIInChI=1S/C22H19N3O3S/c1-15-2-9-21(29-15)20(27)8-3-16-13-24(14-23-16)17-4-6-18(7-5-17)25-11-10-19(26)12-22(25)28/h2,4-7,9-14,26H,3,8H2,1H3
InChIKeyFDSQTQFPUGWFQH-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.91
Rot. Bonds6

About 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one

4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one (PubChem CID 161344645) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
PubChem CID161344645
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
SMILESCc1ccc(C(=O)CCc2cn(-c3ccc(-n4ccc(O)cc4=O)cc3)cn2)s1
InChIInChI=1S/C22H19N3O3S/c1-15-2-9-21(29-15)20(27)8-3-16-13-24(14-23-16)17-4-6-18(7-5-17)25-11-10-19(26)12-22(25)28/h2,4-7,9-14,26H,3,8H2,1H3
InChIKeyFDSQTQFPUGWFQH-UHFFFAOYSA-N
XLogP3.91
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one (CID 161344645) is 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one is Cc1ccc(C(=O)CCc2cn(-c3ccc(-n4ccc(O)cc4=O)cc3)cn2)s1.
What is the InChIKey of 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
The InChIKey is FDSQTQFPUGWFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-2-9-21(29-15)20(27)8-3-16-13-24(14-23-16)17-4-6-18(7-5-17)25-11-10-19(26)12-22(25)28/h2,4-7,9-14,26H,3,8H2,1H3.
What are the key properties of 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one has a molecular weight of 405.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 161344645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).