1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one

C20H21IN2O3 — CID 165011788

IUPAC1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCOc1ccc(CC2C(=O)N(C)C(c3ccc(I)cc3)N2C(C)=O)cc1
InChIInChI=1S/C20H21IN2O3/c1-13(24)23-18(12-14-4-10-17(26-3)11-5-14)20(25)22(2)19(23)15-6-8-16(21)9-7-15/h4-11,18-19H,12H2,1-3H3
InChIKeyJUYNOFDBJDQNOI-UHFFFAOYSA-N
MW464.30 g/mol
LogP3.23
Rot. Bonds4

About 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one

1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 165011788) has the molecular formula C20H21IN2O3 and a molecular weight of 464.30 g/mol. Its IUPAC name is 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID165011788
Molecular FormulaC20H21IN2O3
Molecular Weight464.30 g/mol
Exact Mass464.06
IUPAC Name1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCOc1ccc(CC2C(=O)N(C)C(c3ccc(I)cc3)N2C(C)=O)cc1
InChIInChI=1S/C20H21IN2O3/c1-13(24)23-18(12-14-4-10-17(26-3)11-5-14)20(25)22(2)19(23)15-6-8-16(21)9-7-15/h4-11,18-19H,12H2,1-3H3
InChIKeyJUYNOFDBJDQNOI-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]ethanone
CID 11077426
1-acetyl-5-benzyl-3-methyl-2-(4-methylphenyl)imidazolidin-4-one;1-acetyl-5-benzyl-3-methyl-2-phenylimidazolidin-4-one;1-acetyl-2-(4-hydroxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one;1-acetyl-5-[(4-methoxyphenyl)methyl]-3-methyl-2-phenylimidazolidin-4-one;1-acetyl-3-methyl-2-(4-methylphenyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one;bis(1-acetyl-3-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one);1-acetyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one;2-(4-hydroxyphenyl)-1,3-dimethyl-5-(2-methylpropyl)imidazolidin-4-one;2-methyl-3-naphthalen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
CID 157402944
2-[(3S)-3-[(4-iodophenyl)methyl]-4-methyl-2,5-dioxopiperazin-1-yl]acetic acid
CID 20791816
6-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione
CID 163095304
4-acetyl-5-(4-bromophenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2,3-dione
CID 91070369
methyl (1S)-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 18634506
(3S,4R)-4-(4-hydroxyphenyl)-3-[3-(4-iodophenyl)propyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 101159877
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
(1S)-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CID 40561868
(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
CID 59883960
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
[(2R,3S,4S)-1-acetyl-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
CID 170419726

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one (CID 165011788) is 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one is COc1ccc(CC2C(=O)N(C)C(c3ccc(I)cc3)N2C(C)=O)cc1.
What is the InChIKey of 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is JUYNOFDBJDQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O3/c1-13(24)23-18(12-14-4-10-17(26-3)11-5-14)20(25)22(2)19(23)15-6-8-16(21)9-7-15/h4-11,18-19H,12H2,1-3H3.
What are the key properties of 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 464.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-(4-iodophenyl)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 165011788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).