(4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one

C16H15N3O3 — CID 102456453

IUPAC(4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one
SMILESC[C@H]1CN(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O3/c1-12-11-17(13-6-3-2-4-7-13)16(20)18(12)14-8-5-9-15(10-14)19(21)22/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyQEXKKYDHDZPCCC-LBPRGKRZSA-N
MW297.31 g/mol
LogP3.43
Rot. Bonds3

About (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one

(4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one (PubChem CID 102456453) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one
PubChem CID102456453
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one
SMILESC[C@H]1CN(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O3/c1-12-11-17(13-6-3-2-4-7-13)16(20)18(12)14-8-5-9-15(10-14)19(21)22/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyQEXKKYDHDZPCCC-LBPRGKRZSA-N
XLogP3.43
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-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

2-Imidazolidinone, 1,3-diphenyl-
CID 975958
1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
CID 703851
N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide
CID 2984447
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-nitro-phenyl)-imidazolidin-2-one
CID 10781678
1,1-Dimethyl-3-(3-nitrophenyl)urea
CID 81594
Urea, 1-methyl-3-(3-nitrophenyl)-1-phenyl-
CID 270327
3-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-1-methyl-5-nitrobenzimidazol-2-one
CID 58511874
Carbanilide, N-(1-methyl-3-pyrrolidinyl)-
CID 29900
N,N'-Diethyl-N,N'-bis(4-nitrophenyl)urea
CID 77453
3-(N-Methylanilino)-1-pyrrolidinecarboxanilide
CID 209222
1-Pyrrolidinecarboxamide, N,N-diphenyl-3-(N-methylanilino)-
CID 209226
Carbanilide, 4,4'-dinitro-N,N'-dimethyl-
CID 214924

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one?
The IUPAC name of (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one (CID 102456453) is (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one is C[C@H]1CN(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one?
The InChIKey is QEXKKYDHDZPCCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-12-11-17(13-6-3-2-4-7-13)16(20)18(12)14-8-5-9-15(10-14)19(21)22/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one?
(4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one has a molecular weight of 297.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-3-(3-nitrophenyl)-1-phenylimidazolidin-2-one is sourced from PubChem (CID 102456453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).