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

C19H24ClN3O4 — CID 3241162

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24ClN3O4/c20-16-3-1-2-15(12-16)13-22-8-9-23(18(22)25)14-17(24)21-6-4-19(5-7-21)26-10-11-27-19/h1-3,12H,4-11,13-14H2
InChIKeyUTCORKHFAUSIJN-UHFFFAOYSA-N
MW393.87 g/mol
LogP1.94
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one (PubChem CID 3241162) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one
PubChem CID3241162
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H24ClN3O4/c20-16-3-1-2-15(12-16)13-22-8-9-23(18(22)25)14-17(24)21-6-4-19(5-7-21)26-10-11-27-19/h1-3,12H,4-11,13-14H2
InChIKeyUTCORKHFAUSIJN-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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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one (CID 3241162) is 1-[(3-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-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
The InChIKey is UTCORKHFAUSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c20-16-3-1-2-15(12-16)13-22-8-9-23(18(22)25)14-17(24)21-6-4-19(5-7-21)26-10-11-27-19/h1-3,12H,4-11,13-14H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one?
1-[(3-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-[(3-chlorophenyl)methyl]-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 3241162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).