1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one

C22H26N4O3 — CID 144886983

IUPAC1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILES[H]/N=C/C(=C\N)c1ccc(N2CCN(Cc3cccc(OC)c3)C2=O)cc1OCC
InChIInChI=1S/C22H26N4O3/c1-3-29-21-12-18(7-8-20(21)17(13-23)14-24)26-10-9-25(22(26)27)15-16-5-4-6-19(11-16)28-2/h4-8,11-14,23H,3,9-10,15,24H2,1-2H3/b17-14+,23-13+
InChIKeyBUOMWUFMWYIYNF-IHVMIBQQSA-N
MW394.48 g/mol
LogP3.49
Rot. Bonds8

About 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one

1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 144886983) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID144886983
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILES[H]/N=C/C(=C\N)c1ccc(N2CCN(Cc3cccc(OC)c3)C2=O)cc1OCC
InChIInChI=1S/C22H26N4O3/c1-3-29-21-12-18(7-8-20(21)17(13-23)14-24)26-10-9-25(22(26)27)15-16-5-4-6-19(11-16)28-2/h4-8,11-14,23H,3,9-10,15,24H2,1-2H3/b17-14+,23-13+
InChIKeyBUOMWUFMWYIYNF-IHVMIBQQSA-N
XLogP3.49
TPSA91.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 122680963
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 123324890
6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[(3-methoxyphenyl)methyl]isoquinolin-1-one
CID 164572465
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(2,4,6-trimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-1-one
CID 167231911
1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 134564531
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
1-[(3-methoxyphenyl)methyl]-3-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 122671609
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
CID 155490053
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585106
1-ethyl-3-[4-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]urea
CID 46156722

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (CID 144886983) is 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is [H]/N=C/C(=C\N)c1ccc(N2CCN(Cc3cccc(OC)c3)C2=O)cc1OCC.
What is the InChIKey of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is BUOMWUFMWYIYNF-IHVMIBQQSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-29-21-12-18(7-8-20(21)17(13-23)14-24)26-10-9-25(22(26)27)15-16-5-4-6-19(11-16)28-2/h4-8,11-14,23H,3,9-10,15,24H2,1-2H3/b17-14+,23-13+.
What are the key properties of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 144886983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).