1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium

C19H16N3+ — CID 123370854

IUPAC1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium
SMILESCc1ccccc1-[n+]1cn(-c2ccccc2)c2ncccc21
InChIInChI=1S/C19H16N3/c1-15-8-5-6-11-17(15)22-14-21(16-9-3-2-4-10-16)19-18(22)12-7-13-20-19/h2-14H,1H3/q+1
InChIKeyWNWQVUZRSYJYIQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium

1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium (PubChem CID 123370854) has the molecular formula C19H16N3+ and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium
PubChem CID123370854
Molecular FormulaC19H16N3+
Molecular Weight286.36 g/mol
Exact Mass286.13
IUPAC Name1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium
SMILESCc1ccccc1-[n+]1cn(-c2ccccc2)c2ncccc21
InChIInChI=1S/C19H16N3/c1-15-8-5-6-11-17(15)22-14-21(16-9-3-2-4-10-16)19-18(22)12-7-13-20-19/h2-14H,1H3/q+1
InChIKeyWNWQVUZRSYJYIQ-UHFFFAOYSA-N
XLogP3.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium?
The IUPAC name of 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium (CID 123370854) is 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium.
What is the SMILES notation for 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium?
The canonical SMILES for 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium is Cc1ccccc1-[n+]1cn(-c2ccccc2)c2ncccc21.
What is the InChIKey of 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium?
The InChIKey is WNWQVUZRSYJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N3/c1-15-8-5-6-11-17(15)22-14-21(16-9-3-2-4-10-16)19-18(22)12-7-13-20-19/h2-14H,1H3/q+1.
What are the key properties of 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium?
1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium has a molecular weight of 286.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-phenylimidazo[4,5-b]pyridin-1-ium is sourced from PubChem (CID 123370854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).