2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium

C15H15N2+ — CID 86042221

IUPAC2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium
SMILESCc1cccc2c[n+](Cc3ccccc3)cn12
InChIInChI=1S/C15H15N2/c1-13-6-5-9-15-11-16(12-17(13)15)10-14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3/q+1
InChIKeyOTPYPOYVUCTXQL-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.58
Rot. Bonds2

About 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium

2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium (PubChem CID 86042221) has the molecular formula C15H15N2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium.

Molecular Properties

Compound Name2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium
PubChem CID86042221
Molecular FormulaC15H15N2+
Molecular Weight223.30 g/mol
Exact Mass223.12
IUPAC Name2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium
SMILESCc1cccc2c[n+](Cc3ccccc3)cn12
InChIInChI=1S/C15H15N2/c1-13-6-5-9-15-11-16(12-17(13)15)10-14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3/q+1
InChIKeyOTPYPOYVUCTXQL-UHFFFAOYSA-N
XLogP2.58
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium?
The IUPAC name of 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium (CID 86042221) is 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium.
What is the SMILES notation for 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium?
The canonical SMILES for 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium is Cc1cccc2c[n+](Cc3ccccc3)cn12.
What is the InChIKey of 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium?
The InChIKey is OTPYPOYVUCTXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2/c1-13-6-5-9-15-11-16(12-17(13)15)10-14-7-3-2-4-8-14/h2-9,11-12H,10H2,1H3/q+1.
What are the key properties of 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium?
2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium has a molecular weight of 223.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methylimidazo[1,5-a]pyridin-2-ium is sourced from PubChem (CID 86042221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).