N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C18H18IN3 — CID 23321012

IUPACN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESC1=Cc2ccccc2C(NC2=NCCN2)c2ccccc21.I
InChIInChI=1S/C18H17N3.HI/c1-3-7-15-13(5-1)9-10-14-6-2-4-8-16(14)17(15)21-18-19-11-12-20-18;/h1-10,17H,11-12H2,(H2,19,20,21);1H
InChIKeyWBSZITCAIQRWMU-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.43
Rot. Bonds1

About N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 23321012) has the molecular formula C18H18IN3 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID23321012
Molecular FormulaC18H18IN3
Molecular Weight403.27 g/mol
Exact Mass403.05
IUPAC NameN-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESC1=Cc2ccccc2C(NC2=NCCN2)c2ccccc21.I
InChIInChI=1S/C18H17N3.HI/c1-3-7-15-13(5-1)9-10-14-6-2-4-8-16(14)17(15)21-18-19-11-12-20-18;/h1-10,17H,11-12H2,(H2,19,20,21);1H
InChIKeyWBSZITCAIQRWMU-UHFFFAOYSA-N
XLogP3.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 23321012) is N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is C1=Cc2ccccc2C(NC2=NCCN2)c2ccccc21.I.
What is the InChIKey of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is WBSZITCAIQRWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.HI/c1-3-7-15-13(5-1)9-10-14-6-2-4-8-16(14)17(15)21-18-19-11-12-20-18;/h1-10,17H,11-12H2,(H2,19,20,21);1H.
What are the key properties of N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 403.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 23321012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).