N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine

C18H16ClN3 — CID 23320981

IUPACN-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc2c(c1)C(NC1=NCCN1)c1ccccc1C=C2
InChIInChI=1S/C18H16ClN3/c19-14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)22-18-20-9-10-21-18/h1-8,11,17H,9-10H2,(H2,20,21,22)
InChIKeyHVNNKISSOPSJQF-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.46
Rot. Bonds1

About N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 23320981) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID23320981
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC NameN-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc2c(c1)C(NC1=NCCN1)c1ccccc1C=C2
InChIInChI=1S/C18H16ClN3/c19-14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)22-18-20-9-10-21-18/h1-8,11,17H,9-10H2,(H2,20,21,22)
InChIKeyHVNNKISSOPSJQF-UHFFFAOYSA-N
XLogP3.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 23320981) is N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine is Clc1ccc2c(c1)C(NC1=NCCN1)c1ccccc1C=C2.
What is the InChIKey of N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is HVNNKISSOPSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-14-8-7-13-6-5-12-3-1-2-4-15(12)17(16(13)11-14)22-18-20-9-10-21-18/h1-8,11,17H,9-10H2,(H2,20,21,22).
What are the key properties of N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 309.80 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 23320981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).