1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one

C15H9BrN4O3 — CID 15339807

IUPAC1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one
SMILES[H]/N=C1\C(c2ccc([N+](=O)[O-])cc2)=NC(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C15H9BrN4O3/c16-10-3-7-11(8-4-10)19-14(17)13(18-15(19)21)9-1-5-12(6-2-9)20(22)23/h1-8,17H/b17-14+
InChIKeyRJSFXONNIKFGBS-SAPNQHFASA-N
MW373.17 g/mol
LogP3.76
Rot. Bonds3

About 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one

1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one (PubChem CID 15339807) has the molecular formula C15H9BrN4O3 and a molecular weight of 373.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one
PubChem CID15339807
Molecular FormulaC15H9BrN4O3
Molecular Weight373.17 g/mol
Exact Mass371.99
IUPAC Name1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one
SMILES[H]/N=C1\C(c2ccc([N+](=O)[O-])cc2)=NC(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C15H9BrN4O3/c16-10-3-7-11(8-4-10)19-14(17)13(18-15(19)21)9-1-5-12(6-2-9)20(22)23/h1-8,17H/b17-14+
InChIKeyRJSFXONNIKFGBS-SAPNQHFASA-N
XLogP3.76
TPSA99.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione
CID 163725711
1-(4-bromophenyl)-3-chloro-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580735
(3aS,6aR)-5-(4-bromophenyl)-3-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6557049
3-(4-bromophenyl)-4-(4-nitrophenyl)-1,2,4-oxadiazol-5-one
CID 177254345
1-bromo-4-nitrobenzene;ethane
CID 91498714
(5S)-7-(4-bromophenyl)-4-(4-nitrophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
CID 1422577
3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 7109767
1,3-bis(4-nitrophenyl)-5-phenyl-1,3,4-benzotriazepin-2-one
CID 135033231
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413
(3aR,6aS)-3-(4-bromophenyl)-1-(4-nitrophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 40817652
3,4-bis(4-nitrophenyl)-1,3-thiazol-2-imine
CID 139218619
2-(4-bromophenyl)-5-nitropyrimidine
CID 2842203

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one?
The IUPAC name of 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one (CID 15339807) is 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one?
The canonical SMILES for 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one is [H]/N=C1\C(c2ccc([N+](=O)[O-])cc2)=NC(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one?
The InChIKey is RJSFXONNIKFGBS-SAPNQHFASA-N. The full InChI is InChI=1S/C15H9BrN4O3/c16-10-3-7-11(8-4-10)19-14(17)13(18-15(19)21)9-1-5-12(6-2-9)20(22)23/h1-8,17H/b17-14+.
What are the key properties of 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one?
1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one has a molecular weight of 373.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-imino-4-(4-nitrophenyl)imidazol-2-one is sourced from PubChem (CID 15339807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).