1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione

C24H21N3O5 — CID 55622254

IUPAC1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc([N+](=O)[O-])cc1CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H21N3O5/c1-32-21-13-12-20(27(30)31)14-19(21)16-26-23(28)22(18-10-6-3-7-11-18)25(24(26)29)15-17-8-4-2-5-9-17/h2-14,22H,15-16H2,1H3
InChIKeyIYGMAQQCRJUQRZ-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.31
Rot. Bonds7

About 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione

1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 55622254) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID55622254
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc([N+](=O)[O-])cc1CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H21N3O5/c1-32-21-13-12-20(27(30)31)14-19(21)16-26-23(28)22(18-10-6-3-7-11-18)25(24(26)29)15-17-8-4-2-5-9-17/h2-14,22H,15-16H2,1H3
InChIKeyIYGMAQQCRJUQRZ-UHFFFAOYSA-N
XLogP4.31
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 55622502
(3S,4R)-1-[(2-methoxy-5-nitrophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761307
1-(2-methoxy-5-nitrophenyl)-3-phenylpropan-2-one
CID 158664219
N-benzyl-1-[(2-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxamide
CID 27106961
4-benzyl-3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-methyl-1,2,4-triazole
CID 31669267
1-benzyl-3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55733328
(2S)-1,3-dibenzyl-6-nitro-2-(3,4,5-trimethoxyphenyl)-2H-quinazolin-4-one
CID 94854737
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
(3S,3aR,6aR)-5-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 124776120
1-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 112828513
1-benzyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5-phenylimidazolidine-2,4-dione
CID 55681185
3-(2-methoxy-5-nitrophenyl)-2,2-dimethylpropanoic acid
CID 62740765

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione (CID 55622254) is 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione is COc1ccc([N+](=O)[O-])cc1CN1C(=O)C(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is IYGMAQQCRJUQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-32-21-13-12-20(27(30)31)14-19(21)16-26-23(28)22(18-10-6-3-7-11-18)25(24(26)29)15-17-8-4-2-5-9-17/h2-14,22H,15-16H2,1H3.
What are the key properties of 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione?
1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 431.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-methoxy-5-nitrophenyl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 55622254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).