2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium

C12H11IrN2- — CID 59307395

IUPAC2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESC=Cc1c[c-]c(-c2nccn2C)cc1.[Ir]
InChIInChI=1S/C12H11N2.Ir/c1-3-10-4-6-11(7-5-10)12-13-8-9-14(12)2;/h3-6,8-9H,1H2,2H3;/q-1;
InChIKeyNLWRUGSJAFHOAO-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium

2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium (PubChem CID 59307395) has the molecular formula C12H11IrN2- and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium.

Molecular Properties

Compound Name2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium
PubChem CID59307395
Molecular FormulaC12H11IrN2-
Molecular Weight375.45 g/mol
Exact Mass376.06
IUPAC Name2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium
SMILESC=Cc1c[c-]c(-c2nccn2C)cc1.[Ir]
InChIInChI=1S/C12H11N2.Ir/c1-3-10-4-6-11(7-5-10)12-13-8-9-14(12)2;/h3-6,8-9H,1H2,2H3;/q-1;
InChIKeyNLWRUGSJAFHOAO-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Subsituted 1H-imidazole, 10
CID 20148469
1-Subsituted 1H-imidazole, 12
CID 57339815
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4-(1-Methyl-1h-imidazol-2-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145867266
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
2-[7-Chloro-2-methyl-5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-1-methylimidazole
CID 124013375
1-[1-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030218
1-[1-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]imidazol-2-yl]-N,N-dimethylmethanamine
CID 143030220
2-[(3E)-4-fluoro-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-1-methylimidazole
CID 143913734
4-fluoro-2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1-methylimidazole
CID 176566453

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
The IUPAC name of 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium (CID 59307395) is 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium.
What is the SMILES notation for 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
The canonical SMILES for 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium is C=Cc1c[c-]c(-c2nccn2C)cc1.[Ir].
What is the InChIKey of 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
The InChIKey is NLWRUGSJAFHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2.Ir/c1-3-10-4-6-11(7-5-10)12-13-8-9-14(12)2;/h3-6,8-9H,1H2,2H3;/q-1;.
What are the key properties of 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium?
2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium has a molecular weight of 375.45 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylbenzene-6-id-1-yl)-1-methylimidazole;iridium is sourced from PubChem (CID 59307395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).