imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

C13H17N4O2- — CID 22388703

IUPACimino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILES[H]N=[N+]([O-])[O-].c1ccc2c(c1)CCCC2C1=NCCN1
InChIInChI=1S/C13H16N2.HN2O2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;1-2(3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H-,1,3,4)/q;-1
InChIKeyAKWQEHDAWGPXQZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.13
Rot. Bonds1

About imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 22388703) has the molecular formula C13H17N4O2- and a molecular weight of 261.30 g/mol. Its IUPAC name is imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameimino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID22388703
Molecular FormulaC13H17N4O2-
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Nameimino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILES[H]N=[N+]([O-])[O-].c1ccc2c(c1)CCCC2C1=NCCN1
InChIInChI=1S/C13H16N2.HN2O2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;1-2(3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H-,1,3,4)/q;-1
InChIKeyAKWQEHDAWGPXQZ-UHFFFAOYSA-N
XLogP2.13
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724
2-(5-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 66793847
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 24739290
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 69119731
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 161447711
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 21390927
5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidin-1-ium chloride
CID 139123998
1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
CID 19881180
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 62719628

Frequently Asked Questions

What is the IUPAC name of imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (CID 22388703) is imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is [H]N=[N+]([O-])[O-].c1ccc2c(c1)CCCC2C1=NCCN1.
What is the InChIKey of imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is AKWQEHDAWGPXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.HN2O2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;1-2(3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H-,1,3,4)/q;-1.
What are the key properties of imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 261.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22388703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).