(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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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).