1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

C21H23N3O3 — CID 51299278

IUPAC1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-18-10-6-15(7-11-18)19-3-2-13-24(19)20(25)16-4-8-17(9-5-16)23-14-12-22-21(23)26/h4-11,19H,2-3,12-14H2,1H3,(H,22,26)
InChIKeyFXHTUXWIQCIQKL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds4

About 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 51299278) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID51299278
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C21H23N3O3/c1-27-18-10-6-15(7-11-18)19-3-2-13-24(19)20(25)16-4-8-17(9-5-16)23-14-12-22-21(23)26/h4-11,19H,2-3,12-14H2,1H3,(H,22,26)
InChIKeyFXHTUXWIQCIQKL-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 139007333
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42947283
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
(4-methoxy-3-nitrophenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51253887
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788
7-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51264700

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 51299278) is 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is COc1ccc(C2CCCN2C(=O)c2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is FXHTUXWIQCIQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-18-10-6-15(7-11-18)19-3-2-13-24(19)20(25)16-4-8-17(9-5-16)23-14-12-22-21(23)26/h4-11,19H,2-3,12-14H2,1H3,(H,22,26).
What are the key properties of 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 51299278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).