5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one

C99H63ClF3N25O14 — CID 159479216

About 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one

5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one (PubChem CID 159479216) has the molecular formula C99H63ClF3N25O14 and a molecular weight of 1919.20 g/mol. Its IUPAC name is 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one.

Molecular Properties

• Compound Name: 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one
• PubChem CID: 159479216
• Molecular Formula: C99H63ClF3N25O14
• Molecular Weight: 1919.20 g/mol
• Exact Mass: 1917.46
• IUPAC Name: 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one
• SMILES: COc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.Cc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.Nc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.O=c1oc(-c2cccnc2-n2ccnc2)nc2cccc(C(F)(F)F)c12.O=c1oc(-c2cccnc2-n2ccnc2)nc2cccc(Cl)c12.O=c1oc(-c2cccnc2-n2ccnc2)nc2cccc(O)c12
• InChI: InChI=1S/C17H9F3N4O2.C17H12N4O3.C17H12N4O2.C16H9ClN4O2.C16H11N5O2.C16H10N4O3/c18-17(19,20)11-4-1-5-12-13(11)16(25)26-15(23-12)10-3-2-6-22-14(10)24-8-7-21-9-24;1-23-13-6-2-5-12-14(13)17(22)24-16(20-12)11-4-3-7-19-15(11)21-9-8-18-10-21;1-11-4-2-6-13-14(11)17(22)23-16(20-13)12-5-3-7-19-15(12)21-9-8-18-10-21;2*17-11-4-1-5-12-13(11)16(22)23-15(20-12)10-3-2-6-19-14(10)21-8-7-18-9-21;21-12-5-1-4-11-13(12)16(22)23-15(19-11)10-3-2-6-18-14(10)20-8-7-17-9-20/h1-9H;2-10H,1H3;2-10H,1H3;1-9H;1-9H,17H2;1-9,21H
• InChIKey: LWUAXAFBXUEAFI-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 498.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.20
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one?

The IUPAC name of 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one (CID 159479216) is 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one.

What is the SMILES notation for 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one?

The canonical SMILES for 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one is COc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.Cc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.Nc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.O=c1oc(-c2cccnc2-n2ccnc2)nc2cccc(C(F)(F)F)c12.O=c1oc(-c2cccnc2-n2ccnc2)nc2cccc(Cl)c12.O=c1oc(-c2cccnc2-n2ccnc2)nc2cccc(O)c12.

What is the InChIKey of 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one?

The InChIKey is LWUAXAFBXUEAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2.C17H12N4O3.C17H12N4O2.C16H9ClN4O2.C16H11N5O2.C16H10N4O3/c18-17(19,20)11-4-1-5-12-13(11)16(25)26-15(23-12)10-3-2-6-22-14(10)24-8-7-21-9-24;1-23-13-6-2-5-12-14(13)17(22)24-16(20-12)11-4-3-7-19-15(11)21-9-8-18-10-21;1-11-4-2-6-13-14(11)17(22)23-16(20-13)12-5-3-7-19-15(12)21-9-8-18-10-21;2*17-11-4-1-5-12-13(11)16(22)23-15(20-12)10-3-2-6-19-14(10)21-8-7-18-9-21;21-12-5-1-4-11-13(12)16(22)23-15(19-11)10-3-2-6-18-14(10)20-8-7-17-9-20/h1-9H;2-10H,1H3;2-10H,1H3;1-9H;1-9H,17H2;1-9,21H.

What are the key properties of 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one?

5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one has a molecular weight of 1919.20 g/mol, XLogP of 15.89, 13 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-chloro-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;5-hydroxy-2-(2-imidazol-1-yl-3-pyridinyl)-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methoxy-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one;2-(2-imidazol-1-yl-3-pyridinyl)-5-(trifluoromethyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 159479216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).