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

C22H22N3+ — CID 123545957

IUPAC2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
SMILESCCc1nc2c(ccc(-c3ccccc3C)[n+]2C)n1-c1ccccc1
InChIInChI=1S/C22H22N3/c1-4-21-23-22-20(25(21)17-11-6-5-7-12-17)15-14-19(24(22)3)18-13-9-8-10-16(18)2/h5-15H,4H2,1-3H3/q+1
InChIKeyINLUNVSXGSAYSN-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.39
Rot. Bonds3

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

2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium (PubChem CID 123545957) has the molecular formula C22H22N3+ and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
PubChem CID123545957
Molecular FormulaC22H22N3+
Molecular Weight328.44 g/mol
Exact Mass328.18
IUPAC Name2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
SMILESCCc1nc2c(ccc(-c3ccccc3C)[n+]2C)n1-c1ccccc1
InChIInChI=1S/C22H22N3/c1-4-21-23-22-20(25(21)17-11-6-5-7-12-17)15-14-19(24(22)3)18-13-9-8-10-16(18)2/h5-15H,4H2,1-3H3/q+1
InChIKeyINLUNVSXGSAYSN-UHFFFAOYSA-N
XLogP4.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.39
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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Related Compounds

2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
CID 123964465
2,4-dimethyl-5-(2-methylphenyl)-1-phenylpyrrolo[3,2-b]pyridin-4-ium
CID 157436828
1-[2,6-di(propan-2-yl)phenyl]-2,4-dimethyl-5-(2-methylphenyl)imidazo[4,5-b]pyridin-4-ium
CID 123135867
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
CID 123928150
3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium
CID 162494344
4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123169376
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
4-methyl-5-(2-methylphenyl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123727172
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572
3-methyl-2-(2-methylphenyl)-1,5-diphenylbenzimidazol-3-ium
CID 161260504
2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
CID 173238831
4-chloro-2-ethyl-1-phenyl-5-(trifluoromethyl)benzimidazole
CID 141051850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium?
The IUPAC name of 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium (CID 123545957) is 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium?
The canonical SMILES for 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium is CCc1nc2c(ccc(-c3ccccc3C)[n+]2C)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium?
The InChIKey is INLUNVSXGSAYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N3/c1-4-21-23-22-20(25(21)17-11-6-5-7-12-17)15-14-19(24(22)3)18-13-9-8-10-16(18)2/h5-15H,4H2,1-3H3/q+1.
What are the key properties of 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium?
2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium has a molecular weight of 328.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 123545957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).