3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium

C15H16IrN3- — CID 58517570

IUPAC3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium
SMILESCC(C)(C)Cc1cnc2c3[c-]cccc3ncn12.[Ir]
InChIInChI=1S/C15H16N3.Ir/c1-15(2,3)8-11-9-16-14-12-6-4-5-7-13(12)17-10-18(11)14;/h4-5,7,9-10H,8H2,1-3H3;/q-1;
InChIKeyWNESXNWABFLXRA-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.27
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium

3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium (PubChem CID 58517570) has the molecular formula C15H16IrN3- and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium
PubChem CID58517570
Molecular FormulaC15H16IrN3-
Molecular Weight430.53 g/mol
Exact Mass431.10
IUPAC Name3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium
SMILESCC(C)(C)Cc1cnc2c3[c-]cccc3ncn12.[Ir]
InChIInChI=1S/C15H16N3.Ir/c1-15(2,3)8-11-9-16-14-12-6-4-5-7-13(12)17-10-18(11)14;/h4-5,7,9-10H,8H2,1-3H3;/q-1;
InChIKeyWNESXNWABFLXRA-UHFFFAOYSA-N
XLogP3.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium?
The IUPAC name of 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium (CID 58517570) is 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium?
The canonical SMILES for 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium is CC(C)(C)Cc1cnc2c3[c-]cccc3ncn12.[Ir].
What is the InChIKey of 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium?
The InChIKey is WNESXNWABFLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N3.Ir/c1-15(2,3)8-11-9-16-14-12-6-4-5-7-13(12)17-10-18(11)14;/h4-5,7,9-10H,8H2,1-3H3;/q-1;.
What are the key properties of 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium?
3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium has a molecular weight of 430.53 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium is sourced from PubChem (CID 58517570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).