1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one

C21H21N3O3 — CID 71892507

IUPAC1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H21N3O3/c25-19-6-4-15(5-7-19)16-8-11-23(12-9-16)20(26)17-2-1-3-18(14-17)24-13-10-22-21(24)27/h1-8,14,25H,9-13H2,(H,22,27)
InChIKeyXKRVNDAOXWOLBG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.85
Rot. Bonds3

About 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 71892507) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID71892507
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C21H21N3O3/c25-19-6-4-15(5-7-19)16-8-11-23(12-9-16)20(26)17-2-1-3-18(14-17)24-13-10-22-21(24)27/h1-8,14,25H,9-13H2,(H,22,27)
InChIKeyXKRVNDAOXWOLBG-UHFFFAOYSA-N
XLogP2.85
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
CID 170508919
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131956
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70769674
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38168300
4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
CID 71943929
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55830150

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one (CID 71892507) is 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is XKRVNDAOXWOLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19-6-4-15(5-7-19)16-8-11-23(12-9-16)20(26)17-2-1-3-18(14-17)24-13-10-22-21(24)27/h1-8,14,25H,9-13H2,(H,22,27).
What are the key properties of 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 71892507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).