(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

C17H14ClN5O2 — CID 155549835

IUPAC(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyKEXXCOSVBSDBQV-NSHDSACASA-N
MW355.79 g/mol
LogP4.64
Rot. Bonds4

About (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 155549835) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID155549835
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyKEXXCOSVBSDBQV-NSHDSACASA-N
XLogP4.64
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-benzyl-1-(4-chlorophenyl)-2,4(1H,3H)-pyrimidinedione
CID 2823053
3(4-Chlorobenzoyl)-1phenyl-imidazolidin-2,4-dione
CID 10615215
1,2-Pyrrolidinedicarboxamide,N2-[(4-chlorophenyl)methyl]-N2-methyl-N1-[4-(trifluoromethyl)phenyl]-,(2R)-
CID 24782826
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-p-tolylpyrrolidine-1,2-dicarboxamide
CID 25233579
(R)-N2-(4-Chlorobenzyl)-N1-(4-cyanophenyl)-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25233581
4-[(4-Chlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 70681829
4-[(3-Chlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 70681830
(S)-3-(4-azidophenyl)-1-benzyl-5-methyl-imidazolidine-2,4-dione
CID 155515079
1-(4-Chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4784743
1-Benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 73012381
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide
CID 2418887
N1-(4-Chlorophenyl)-N2-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 3219673

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 155549835) is (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is KEXXCOSVBSDBQV-NSHDSACASA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-11-16(24)23(15-8-4-13(18)5-9-15)17(25)22(11)10-12-2-6-14(7-3-12)20-21-19/h2-9,11H,10H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 355.79 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(4-azidophenyl)methyl]-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155549835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).