1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine

C11H12N4O — CID 18703632

IUPAC1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1N1C=Cc2ccccc2O1
InChIInChI=1S/C11H12N4O/c12-11-13-6-8-14(11)15-7-5-9-3-1-2-4-10(9)16-15/h1-5,7H,6,8H2,(H2,12,13)
InChIKeyDIPSKJREDCQIJH-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.81
Rot. Bonds1

About 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine

1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 18703632) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID18703632
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1N1C=Cc2ccccc2O1
InChIInChI=1S/C11H12N4O/c12-11-13-6-8-14(11)15-7-5-9-3-1-2-4-10(9)16-15/h1-5,7H,6,8H2,(H2,12,13)
InChIKeyDIPSKJREDCQIJH-UHFFFAOYSA-N
XLogP0.81
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-4,5-dihydroimidazol-2-amine bromide
CID 21240419
2-(1-piperidin-1-ylprop-2-enyl)-1,2-benzoxazine
CID 67851901
4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1,2-benzoxazepine
CID 90907179
2-spiro[chromene-2,4'-piperidine]-1'-ylethanamine
CID 82046760
4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide
CID 70082434
2-(3-amino-1,2-benzoxazin-2-yl)propane-2-thiol
CID 170309467
[2-(1,2-benzoxazin-2-yl)-1-phosphonoethyl]phosphonic acid
CID 146520879
1,11a-dihydrobenzo[b][1]benzoxepine-2,4-diamine
CID 163198690
2-(3H-1,2-benzoxazepin-2-yl)acetic acid
CID 139931964
CID 59630135
CID 59630135
(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
CID 122608659
2H-chromene;hexane-1,6-diamine
CID 67675433

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine (CID 18703632) is 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine is NC1=NCCN1N1C=Cc2ccccc2O1.
What is the InChIKey of 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DIPSKJREDCQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-11-13-6-8-14(11)15-7-5-9-3-1-2-4-10(9)16-15/h1-5,7H,6,8H2,(H2,12,13).
What are the key properties of 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine?
1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 216.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 18703632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).