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

C25H25N3O5S — CID 159211543

IUPAC1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
SMILESCc1ccc(C(=O)CCc2cn(-c3ccc(-n4ccccc4=O)cc3OC[C@H](O)CO)cn2)s1
InChIInChI=1S/C25H25N3O5S/c1-17-5-10-24(34-17)22(31)9-6-18-13-27(16-26-18)21-8-7-19(28-11-3-2-4-25(28)32)12-23(21)33-15-20(30)14-29/h2-5,7-8,10-13,16,20,29-30H,6,9,14-15H2,1H3/t20-/m1/s1
InChIKeyZUBFJAAIOKBKKV-HXUWFJFHSA-N
MW479.56 g/mol
LogP2.94
Rot. Bonds10

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

1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one (PubChem CID 159211543) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
PubChem CID159211543
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
SMILESCc1ccc(C(=O)CCc2cn(-c3ccc(-n4ccccc4=O)cc3OC[C@H](O)CO)cn2)s1
InChIInChI=1S/C25H25N3O5S/c1-17-5-10-24(34-17)22(31)9-6-18-13-27(16-26-18)21-8-7-19(28-11-3-2-4-25(28)32)12-23(21)33-15-20(30)14-29/h2-5,7-8,10-13,16,20,29-30H,6,9,14-15H2,1H3/t20-/m1/s1
InChIKeyZUBFJAAIOKBKKV-HXUWFJFHSA-N
XLogP2.94
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
The IUPAC name of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one (CID 159211543) is 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one is Cc1ccc(C(=O)CCc2cn(-c3ccc(-n4ccccc4=O)cc3OC[C@H](O)CO)cn2)s1.
What is the InChIKey of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
The InChIKey is ZUBFJAAIOKBKKV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-17-5-10-24(34-17)22(31)9-6-18-13-27(16-26-18)21-8-7-19(28-11-3-2-4-25(28)32)12-23(21)33-15-20(30)14-29/h2-5,7-8,10-13,16,20,29-30H,6,9,14-15H2,1H3/t20-/m1/s1.
What are the key properties of 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one?
1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one has a molecular weight of 479.56 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2,3-dihydroxypropoxy]-4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one is sourced from PubChem (CID 159211543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).