N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine

C9H9N5O — CID 13189706

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine
SMILESc1cc2nonc2cc1NC1=NCCN1
InChIInChI=1S/C9H9N5O/c1-2-7-8(14-15-13-7)5-6(1)12-9-10-3-4-11-9/h1-2,5H,3-4H2,(H2,10,11,12)
InChIKeyAVWWDWNKLPANNQ-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.59
Rot. Bonds1

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

N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine (PubChem CID 13189706) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine
PubChem CID13189706
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine
SMILESc1cc2nonc2cc1NC1=NCCN1
InChIInChI=1S/C9H9N5O/c1-2-7-8(14-15-13-7)5-6(1)12-9-10-3-4-11-9/h1-2,5H,3-4H2,(H2,10,11,12)
InChIKeyAVWWDWNKLPANNQ-UHFFFAOYSA-N
XLogP0.59
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine (CID 13189706) is N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine is c1cc2nonc2cc1NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine?
The InChIKey is AVWWDWNKLPANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-2-7-8(14-15-13-7)5-6(1)12-9-10-3-4-11-9/h1-2,5H,3-4H2,(H2,10,11,12).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine has a molecular weight of 203.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine is sourced from PubChem (CID 13189706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).