1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one

C21H24N4O2 — CID 123324890

IUPAC1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILES[H]/N=C/C(/C=N/[H])c1ccc(N2CCN(Cc3cccc(C)c3)C2=O)cc1OC
InChIInChI=1S/C21H24N4O2/c1-15-4-3-5-16(10-15)14-24-8-9-25(21(24)26)18-6-7-19(17(12-22)13-23)20(11-18)27-2/h3-7,10-13,17,22-23H,8-9,14H2,1-2H3/b22-12+,23-13+
InChIKeyPSYALHABXZIVRS-FWSOMWAYSA-N
MW364.45 g/mol
LogP3.83
Rot. Bonds7

About 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one

1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 123324890) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
PubChem CID123324890
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILES[H]/N=C/C(/C=N/[H])c1ccc(N2CCN(Cc3cccc(C)c3)C2=O)cc1OC
InChIInChI=1S/C21H24N4O2/c1-15-4-3-5-16(10-15)14-24-8-9-25(21(24)26)18-6-7-19(17(12-22)13-23)20(11-18)27-2/h3-7,10-13,17,22-23H,8-9,14H2,1-2H3/b22-12+,23-13+
InChIKeyPSYALHABXZIVRS-FWSOMWAYSA-N
XLogP3.83
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one (CID 123324890) is 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one is [H]/N=C/C(/C=N/[H])c1ccc(N2CCN(Cc3cccc(C)c3)C2=O)cc1OC.
What is the InChIKey of 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is PSYALHABXZIVRS-FWSOMWAYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-4-3-5-16(10-15)14-24-8-9-25(21(24)26)18-6-7-19(17(12-22)13-23)20(11-18)27-2/h3-7,10-13,17,22-23H,8-9,14H2,1-2H3/b22-12+,23-13+.
What are the key properties of 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 123324890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).