2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one

C17H12N4O2 — CID 24999726

IUPAC2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12
InChIInChI=1S/C17H12N4O2/c1-11-4-2-6-13-14(11)17(22)23-16(20-13)12-5-3-7-19-15(12)21-9-8-18-10-21/h2-10H,1H3
InChIKeyWIPBFLKTVQUYGG-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one

2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one (PubChem CID 24999726) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one
PubChem CID24999726
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12
InChIInChI=1S/C17H12N4O2/c1-11-4-2-6-13-14(11)17(22)23-16(20-13)12-5-3-7-19-15(12)21-9-8-18-10-21/h2-10H,1H3
InChIKeyWIPBFLKTVQUYGG-UHFFFAOYSA-N
XLogP2.74
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one (CID 24999726) is 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one is Cc1cccc2nc(-c3cccnc3-n3ccnc3)oc(=O)c12.
What is the InChIKey of 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one?
The InChIKey is WIPBFLKTVQUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-11-4-2-6-13-14(11)17(22)23-16(20-13)12-5-3-7-19-15(12)21-9-8-18-10-21/h2-10H,1H3.
What are the key properties of 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one?
2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one has a molecular weight of 304.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-yl-3-pyridinyl)-5-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 24999726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).