(5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione

C17H15N5O2 — CID 155515079

IUPAC(5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyYRXQKGLBTVAKSC-LBPRGKRZSA-N
MW321.34 g/mol
LogP3.99
Rot. Bonds4

About (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione

(5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione (PubChem CID 155515079) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione
PubChem CID155515079
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name(5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyYRXQKGLBTVAKSC-LBPRGKRZSA-N
XLogP3.99
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.99
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)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione (CID 155515079) is (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(N=[N+]=[N-])cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione?
The InChIKey is YRXQKGLBTVAKSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-12-16(23)22(15-9-7-14(8-10-15)19-20-18)17(24)21(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione?
(5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione has a molecular weight of 321.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-azidophenyl)-1-benzyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155515079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).