iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole

C11H8IrN3- — CID 58769482

IUPACiridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole
SMILES[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;/h3,5-8H,2H3;/q-1;
InChIKeyIERUUKJBJZILAX-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.44
Rot. Bonds1

About iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole

iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole (PubChem CID 58769482) has the molecular formula C11H8IrN3- and a molecular weight of 374.42 g/mol. Its IUPAC name is iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole.

Molecular Properties

Compound Nameiridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole
PubChem CID58769482
Molecular FormulaC11H8IrN3-
Molecular Weight374.42 g/mol
Exact Mass375.04
IUPAC Nameiridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole
SMILES[C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir]
InChIInChI=1S/C11H8N3.Ir/c1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;/h3,5-8H,2H3;/q-1;
InChIKeyIERUUKJBJZILAX-UHFFFAOYSA-N
XLogP2.44
TPSA22.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.44
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

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CID 136244612
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CID 10678575
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
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-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1,4-dimethylimidazole
CID 176566010
4-fluoro-2-[(1E)-1-fluoro-3-methylbuta-1,3-dienyl]-1-methylimidazole
CID 176566453
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
7-ethenyl-5H-pyrrolo[1,2-a]imidazole
CID 91332711
1,3-Ditert-butyl-2-(phenylmethyl)imidazol-1-ium;yttrium
CID 134838136
5-(1-methylimidazol-2-yl)-2H-benzimidazole
CID 134947084

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole?
The IUPAC name of iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole (CID 58769482) is iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole.
What is the SMILES notation for iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole?
The canonical SMILES for iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole is [C-]#[N+]c1cc[c-]c(-c2nccn2C)c1.[Ir].
What is the InChIKey of iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole?
The InChIKey is IERUUKJBJZILAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N3.Ir/c1-12-10-5-3-4-9(8-10)11-13-6-7-14(11)2;/h3,5-8H,2H3;/q-1;.
What are the key properties of iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole?
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole has a molecular weight of 374.42 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methylimidazole is sourced from PubChem (CID 58769482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).