2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium

C18H20N3Y- — CID 59808759

IUPAC2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium
SMILESCCCCn1c(Cc2ccccc2)nc2c(C)n[c-]cc21.[Y]
InChIInChI=1S/C18H20N3.Y/c1-3-4-12-21-16-10-11-19-14(2)18(16)20-17(21)13-15-8-6-5-7-9-15;/h5-10H,3-4,12-13H2,1-2H3;/q-1;
InChIKeyUUPBHUGFIXJEMM-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.93
Rot. Bonds5

About 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium

2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium (PubChem CID 59808759) has the molecular formula C18H20N3Y- and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium.

Molecular Properties

Compound Name2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium
PubChem CID59808759
Molecular FormulaC18H20N3Y-
Molecular Weight367.29 g/mol
Exact Mass367.07
IUPAC Name2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium
SMILESCCCCn1c(Cc2ccccc2)nc2c(C)n[c-]cc21.[Y]
InChIInChI=1S/C18H20N3.Y/c1-3-4-12-21-16-10-11-19-14(2)18(16)20-17(21)13-15-8-6-5-7-9-15;/h5-10H,3-4,12-13H2,1-2H3;/q-1;
InChIKeyUUPBHUGFIXJEMM-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.93
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium?
The IUPAC name of 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium (CID 59808759) is 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium.
What is the SMILES notation for 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium?
The canonical SMILES for 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium is CCCCn1c(Cc2ccccc2)nc2c(C)n[c-]cc21.[Y].
What is the InChIKey of 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium?
The InChIKey is UUPBHUGFIXJEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N3.Y/c1-3-4-12-21-16-10-11-19-14(2)18(16)20-17(21)13-15-8-6-5-7-9-15;/h5-10H,3-4,12-13H2,1-2H3;/q-1;.
What are the key properties of 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium?
2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium has a molecular weight of 367.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-butyl-4-methyl-6H-imidazo[4,5-c]pyridin-6-ide;yttrium is sourced from PubChem (CID 59808759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).