[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol

C13H17N3O2 — CID 10977777

IUPAC[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
SMILESCN1CC(C2=NCCN2)Oc2ccc(CO)cc21
InChIInChI=1S/C13H17N3O2/c1-16-7-12(13-14-4-5-15-13)18-11-3-2-9(8-17)6-10(11)16/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyNHUFNBSQNJEASQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.38
Rot. Bonds2

About [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol

[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol (PubChem CID 10977777) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol.

Molecular Properties

Compound Name[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
PubChem CID10977777
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol
SMILESCN1CC(C2=NCCN2)Oc2ccc(CO)cc21
InChIInChI=1S/C13H17N3O2/c1-16-7-12(13-14-4-5-15-13)18-11-3-2-9(8-17)6-10(11)16/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyNHUFNBSQNJEASQ-UHFFFAOYSA-N
XLogP0.38
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The IUPAC name of [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol (CID 10977777) is [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol.
What is the SMILES notation for [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The canonical SMILES for [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol is CN1CC(C2=NCCN2)Oc2ccc(CO)cc21.
What is the InChIKey of [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
The InChIKey is NHUFNBSQNJEASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-7-12(13-14-4-5-15-13)18-11-3-2-9(8-17)6-10(11)16/h2-3,6,12,17H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol?
[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]methanol is sourced from PubChem (CID 10977777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).