1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one

C19H24ClN3O4 — CID 3236743

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24ClN3O4/c20-16-3-1-15(2-4-16)13-22-9-10-23(18(22)25)14-17(24)21-7-5-19(6-8-21)26-11-12-27-19/h1-4H,5-14H2
InChIKeyOWDYYMBDMOKBLP-UHFFFAOYSA-N
MW393.87 g/mol
LogP1.94
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one

1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one (PubChem CID 3236743) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one
PubChem CID3236743
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24ClN3O4/c20-16-3-1-15(2-4-16)13-22-9-10-23(18(22)25)14-17(24)21-7-5-19(6-8-21)26-11-12-27-19/h1-4H,5-14H2
InChIKeyOWDYYMBDMOKBLP-UHFFFAOYSA-N
XLogP1.94
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 53063732
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(3-methylphenyl)methyl]piperazine-2,3-dione
CID 53063986
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazine-2,3-dione
CID 53063899
(E)-3-(4-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)prop-2-en-1-one
CID 35370579
2-(6-chloroindazol-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 22510033
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 60507539
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110316706
2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72841661
2-(4-chloro-2-methylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 17173653
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177
[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109156918

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one (CID 3236743) is 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
The InChIKey is OWDYYMBDMOKBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c20-16-3-1-15(2-4-16)13-22-9-10-23(18(22)25)14-17(24)21-7-5-19(6-8-21)26-11-12-27-19/h1-4H,5-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one has a molecular weight of 393.87 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 3236743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).