iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine

C12H15IrN3-2 — CID 59582836

IUPACiridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine
SMILESCNCc1cc[c-]c(N2C=CN(C)[CH-]2)c1.[Ir]
InChIInChI=1S/C12H15N3.Ir/c1-13-9-11-4-3-5-12(8-11)15-7-6-14(2)10-15;/h3-4,6-8,10,13H,9H2,1-2H3;/q-2;
InChIKeyQXLXNLDGLABYGJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.55
Rot. Bonds3

About iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine

iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine (PubChem CID 59582836) has the molecular formula C12H15IrN3-2 and a molecular weight of 393.49 g/mol. Its IUPAC name is iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine.

Molecular Properties

Compound Nameiridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine
PubChem CID59582836
Molecular FormulaC12H15IrN3-2
Molecular Weight393.49 g/mol
Exact Mass394.09
IUPAC Nameiridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine
SMILESCNCc1cc[c-]c(N2C=CN(C)[CH-]2)c1.[Ir]
InChIInChI=1S/C12H15N3.Ir/c1-13-9-11-4-3-5-12(8-11)15-7-6-14(2)10-15;/h3-4,6-8,10,13H,9H2,1-2H3;/q-2;
InChIKeyQXLXNLDGLABYGJ-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydro 1h cyclopenta[d]pyrimidine
CID 69373796
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
iridium;N-methyl-1-[3-(3-methyl-3H-pyrazol-2-id-1-yl)benzene-4-id-1-yl]methanamine
CID 58038517
4-Fluoro-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517630
2,6-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517673
2-Ethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517691
2,5-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517885
2,4-Dimethyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517892
Iridium;2-propyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58517932
Iridium;2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide
CID 58518092
3-Ethyl-1,5-dihydroimidazo[1,2-a]pyridine
CID 59042355
carbanide;lawrencium;[4-(3-methyl-2H-imidazol-2-id-1-yl)benzene-5-id-1-yl]methanamine
CID 71122962

Frequently Asked Questions

What is the IUPAC name of iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine?
The IUPAC name of iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine (CID 59582836) is iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine.
What is the SMILES notation for iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine?
The canonical SMILES for iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine is CNCc1cc[c-]c(N2C=CN(C)[CH-]2)c1.[Ir].
What is the InChIKey of iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine?
The InChIKey is QXLXNLDGLABYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.Ir/c1-13-9-11-4-3-5-12(8-11)15-7-6-14(2)10-15;/h3-4,6-8,10,13H,9H2,1-2H3;/q-2;.
What are the key properties of iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine?
iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine has a molecular weight of 393.49 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;N-methyl-1-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]methanamine is sourced from PubChem (CID 59582836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).