2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

C15H12FN3O — CID 60784691

IUPAC2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2nc(C3CNc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C15H12FN3O/c16-9-5-6-10-12(7-9)19-15(18-10)14-8-17-11-3-1-2-4-13(11)20-14/h1-7,14,17H,8H2,(H,18,19)
InChIKeyYTECOCREUDXPDH-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.25
Rot. Bonds1

About 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 60784691) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID60784691
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2nc(C3CNc4ccccc4O3)[nH]c2c1
InChIInChI=1S/C15H12FN3O/c16-9-5-6-10-12(7-9)19-15(18-10)14-8-17-11-3-1-2-4-13(11)20-14/h1-7,14,17H,8H2,(H,18,19)
InChIKeyYTECOCREUDXPDH-UHFFFAOYSA-N
XLogP3.25
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1H-benzimidazole
CID 20561733
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004144
2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazole-5-carbonitrile
CID 79004311
2-[5-(furan-2-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 43651670
2-[1-[(3S)-3,4-dihydro-2H-chromen-3-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
CID 29256848
2-(6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64812865
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-6-pyridin-4-yl-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 117074797
2-(5-chloro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43100553
(2S,3R,4R,5S,6R)-2-(6-fluoro-1H-benzimidazol-2-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72724263
2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164370
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-(1H-pyrazol-4-yl)-1H-benzimidazole
CID 58164303
2-(3-methylimidazo[4,5-b]pyridin-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 63758840

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 60784691) is 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc2nc(C3CNc4ccccc4O3)[nH]c2c1.
What is the InChIKey of 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YTECOCREUDXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-9-5-6-10-12(7-9)19-15(18-10)14-8-17-11-3-1-2-4-13(11)20-14/h1-7,14,17H,8H2,(H,18,19).
What are the key properties of 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 269.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-benzimidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 60784691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).