2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone

C12H11N3O2 — CID 6623181

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone
SMILESO=C(N1CCOc2ccccc21)n1ccnc1
InChIInChI=1S/C12H11N3O2/c16-12(14-6-5-13-9-14)15-7-8-17-11-4-2-1-3-10(11)15/h1-6,9H,7-8H2
InChIKeyPVQZIHAKZDDRLZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.75
Rot. Bonds

About 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone

2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone (PubChem CID 6623181) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone
PubChem CID6623181
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone
SMILESO=C(N1CCOc2ccccc21)n1ccnc1
InChIInChI=1S/C12H11N3O2/c16-12(14-6-5-13-9-14)15-7-8-17-11-4-2-1-3-10(11)15/h1-6,9H,7-8H2
InChIKeyPVQZIHAKZDDRLZ-UHFFFAOYSA-N
XLogP1.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11321889
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2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 709685
XL844
CID 10016910
6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)pyridazin-3(2H)-one
CID 10927333
6-Imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 11036286
6-Imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one
CID 11112914
6-(1H-imidazol-1-yl)-2-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)pyridazin-3(2H)-one
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6-(1H-imidazol-1-yl)-2-(7-(4-(2-methoxyphenyl)piperazin-1-yl)heptyl)pyridazin-3(2H)-one
CID 11134154
1-(2-Methoxyphenyl)-4-[4-(2-methylsulfanylimidazol-1-yl)butyl]piperazine
CID 11222149
6-Imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
CID 11825714

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone (CID 6623181) is 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone is O=C(N1CCOc2ccccc21)n1ccnc1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone?
The InChIKey is PVQZIHAKZDDRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(14-6-5-13-9-14)15-7-8-17-11-4-2-1-3-10(11)15/h1-6,9H,7-8H2.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone?
2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone has a molecular weight of 229.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl(imidazol-1-yl)methanone is sourced from PubChem (CID 6623181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).