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

C20H21FN4O2 — CID 122680963

IUPAC1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
SMILES[H]/N=C/C(=C\N)c1ccc(N2CCN(Cc3cccc(F)c3)C2=O)cc1OC
InChIInChI=1S/C20H21FN4O2/c1-27-19-10-17(5-6-18(19)15(11-22)12-23)25-8-7-24(20(25)26)13-14-3-2-4-16(21)9-14/h2-6,9-12,22H,7-8,13,23H2,1H3/b15-12+,22-11+
InChIKeyRRDHKVQKWHAPAR-VZCHHUCCSA-N
MW368.41 g/mol
LogP3.23
Rot. Bonds6

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

1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 122680963) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID122680963
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
SMILES[H]/N=C/C(=C\N)c1ccc(N2CCN(Cc3cccc(F)c3)C2=O)cc1OC
InChIInChI=1S/C20H21FN4O2/c1-27-19-10-17(5-6-18(19)15(11-22)12-23)25-8-7-24(20(25)26)13-14-3-2-4-16(21)9-14/h2-6,9-12,22H,7-8,13,23H2,1H3/b15-12+,22-11+
InChIKeyRRDHKVQKWHAPAR-VZCHHUCCSA-N
XLogP3.23
TPSA82.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-ethoxyphenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 144886983
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one
CID 122680976
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 123324890
1-(4-bromo-2-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479530
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231588
N-[3-[[4-[4-[2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]phenyl]piperazin-1-yl]methyl]phenyl]methanesulfinamide
CID 167231214
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
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-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one
CID 155002831
2-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-8-[4-[4-(2-phenylmethoxyethyl)piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 167231208
1-[(3-fluorophenyl)methyl]-3-[4-(2-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
CID 140829121

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one (CID 122680963) is 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one is [H]/N=C/C(=C\N)c1ccc(N2CCN(Cc3cccc(F)c3)C2=O)cc1OC.
What is the InChIKey of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is RRDHKVQKWHAPAR-VZCHHUCCSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-19-10-17(5-6-18(19)15(11-22)12-23)25-8-7-24(20(25)26)13-14-3-2-4-16(21)9-14/h2-6,9-12,22H,7-8,13,23H2,1H3/b15-12+,22-11+.
What are the key properties of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one?
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 368.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 122680963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).