3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C17H14ClN3O4 — CID 91653245

IUPAC3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2CC(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1
InChIInChI=1S/C17H14ClN3O4/c1-11-2-4-12(5-3-11)9-19-10-16(22)20(17(19)23)15-7-6-13(21(24)25)8-14(15)18/h2-8H,9-10H2,1H3
InChIKeyVUIZLIXKKSKXAO-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.53
Rot. Bonds4

About 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 91653245) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID91653245
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2CC(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1
InChIInChI=1S/C17H14ClN3O4/c1-11-2-4-12(5-3-11)9-19-10-16(22)20(17(19)23)15-7-6-13(21(24)25)8-14(15)18/h2-8H,9-10H2,1H3
InChIKeyVUIZLIXKKSKXAO-UHFFFAOYSA-N
XLogP3.53
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
CID 167753380
1-(2-chloro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 134610331
5-bromo-1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]-7-nitro-4H-quinazolin-2-one
CID 22648145
1-[[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326242
(2R)-2-(2-chloro-4-nitrophenoxy)-3-(4-methylphenyl)propanenitrile
CID 8609486
1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione
CID 63064359
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
ethyl 4-(2-chloro-4-nitrophenyl)piperazine-1-carboxylate
CID 5302992
1-(2-chloro-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671730

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 91653245) is 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2CC(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1.
What is the InChIKey of 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is VUIZLIXKKSKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-11-2-4-12(5-3-11)9-19-10-16(22)20(17(19)23)15-7-6-13(21(24)25)8-14(15)18/h2-8H,9-10H2,1H3.
What are the key properties of 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 359.77 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-nitrophenyl)-1-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91653245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).