chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide

C16H17ClCuN2 — CID 135084953

IUPACchlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
SMILESCc1cc(C)c(N2C=C3C=CC=CN3[CH-]2)c(C)c1.Cl[Cu+]
InChIInChI=1S/C16H17N2.ClH.Cu/c1-12-8-13(2)16(14(3)9-12)18-10-15-6-4-5-7-17(15)11-18;;/h4-11H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyWSQIXIGRBDHDTD-UHFFFAOYSA-M
MW336.33 g/mol
LogP4.47
Rot. Bonds1

About chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide

chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide (PubChem CID 135084953) has the molecular formula C16H17ClCuN2 and a molecular weight of 336.33 g/mol. Its IUPAC name is chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide.

Molecular Properties

Compound Namechlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
PubChem CID135084953
Molecular FormulaC16H17ClCuN2
Molecular Weight336.33 g/mol
Exact Mass335.04
IUPAC Namechlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide
SMILESCc1cc(C)c(N2C=C3C=CC=CN3[CH-]2)c(C)c1.Cl[Cu+]
InChIInChI=1S/C16H17N2.ClH.Cu/c1-12-8-13(2)16(14(3)9-12)18-10-15-6-4-5-7-17(15)11-18;;/h4-11H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyWSQIXIGRBDHDTD-UHFFFAOYSA-M
XLogP4.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.47
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

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;trichloroindigane
CID 5256746
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;chloronickel
CID 138962644
chlorogold;4-[2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
CID 172516512
chlorogold;N,N-dimethyl-2-(2,4,6-trimethylphenyl)-1H-imidazo[1,5-a]quinolin-1-id-9-amine
CID 172516514
bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(naphthalene-1,4-dione);bis(palladium)
CID 22836588
2-(2,6-dibenzhydryl-4-methylphenyl)-5-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide;gold(1+);chloride
CID 174057934
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;bis(ditert-butyl (E)-but-2-enedioate);nickel(3+)
CID 164886801
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
5,6-dimethyl-1-(2,4,6-trimethylphenyl)-3-[3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 164730504
CID 139244845
CID 139244845
2,2-dimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazole
CID 134386547
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole-2-thiol
CID 71730840

Frequently Asked Questions

What is the IUPAC name of chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
The IUPAC name of chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide (CID 135084953) is chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide.
What is the SMILES notation for chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
The canonical SMILES for chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide is Cc1cc(C)c(N2C=C3C=CC=CN3[CH-]2)c(C)c1.Cl[Cu+].
What is the InChIKey of chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
The InChIKey is WSQIXIGRBDHDTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17N2.ClH.Cu/c1-12-8-13(2)16(14(3)9-12)18-10-15-6-4-5-7-17(15)11-18;;/h4-11H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide?
chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide has a molecular weight of 336.33 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper(1+);2-(2,4,6-trimethylphenyl)-3H-imidazo[1,5-a]pyridin-3-ide is sourced from PubChem (CID 135084953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).