3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C17H17FN2OS — CID 60525664

IUPAC3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2ccc(-c3ccccc3F)s2)N2CCCCC12
InChIInChI=1S/C17H17FN2OS/c18-12-6-2-1-5-11(12)14-8-9-15(22-14)16-19-17(21)13-7-3-4-10-20(13)16/h1-2,5-6,8-9,13,16H,3-4,7,10H2,(H,19,21)
InChIKeyOQWCYBNNNILNTH-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.54
Rot. Bonds2

About 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 60525664) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID60525664
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2ccc(-c3ccccc3F)s2)N2CCCCC12
InChIInChI=1S/C17H17FN2OS/c18-12-6-2-1-5-11(12)14-8-9-15(22-14)16-19-17(21)13-7-3-4-10-20(13)16/h1-2,5-6,8-9,13,16H,3-4,7,10H2,(H,19,21)
InChIKeyOQWCYBNNNILNTH-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-Tetrahydro-benzo[4,5]thieno[2,3-c]pyridine-3-carboxylic acid cyclohexylamide
CID 131108
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 4266964
(3R)-N-cyclopentyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 49860701
(3R)-N-pentan-3-yl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 49860705
(3R)-N-hexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 49860710
(3R)-N-heptyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 49860724
2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 71738783
5-[3-[4-[5-(2-Fluorophenyl)-2-thienyl]-1-piperidyl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132211440
5-Ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 16329262

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 60525664) is 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is O=C1NC(c2ccc(-c3ccccc3F)s2)N2CCCCC12.
What is the InChIKey of 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is OQWCYBNNNILNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c18-12-6-2-1-5-11(12)14-8-9-15(22-14)16-19-17(21)13-7-3-4-10-20(13)16/h1-2,5-6,8-9,13,16H,3-4,7,10H2,(H,19,21).
What are the key properties of 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 316.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)thiophen-2-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 60525664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).