N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine

C12H15N3O2 — CID 10198552

IUPACN-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1c(NC2=NCCN2)ccc2c1OCCO2
InChIInChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)
InChIKeyBJNQZYVNKAVYSF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.14
Rot. Bonds1

About N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10198552) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10198552
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1c(NC2=NCCN2)ccc2c1OCCO2
InChIInChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)
InChIKeyBJNQZYVNKAVYSF-UHFFFAOYSA-N
XLogP1.14
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 10198552) is N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine is Cc1c(NC2=NCCN2)ccc2c1OCCO2.
What is the InChIKey of N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BJNQZYVNKAVYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15).
What are the key properties of N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10198552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).