2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium

C24H26N3+ — CID 123964465

IUPAC2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
SMILESCCc1nc2c(ccc(-c3cc(C)cc(C)c3C)[n+]2C)n1-c1ccccc1
InChIInChI=1S/C24H26N3/c1-6-23-25-24-22(27(23)19-10-8-7-9-11-19)13-12-21(26(24)5)20-15-16(2)14-17(3)18(20)4/h7-15H,6H2,1-5H3/q+1
InChIKeyBUWLCXQWXZPWAM-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.00
Rot. Bonds3

About 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium

2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium (PubChem CID 123964465) has the molecular formula C24H26N3+ and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
PubChem CID123964465
Molecular FormulaC24H26N3+
Molecular Weight356.49 g/mol
Exact Mass356.21
IUPAC Name2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
SMILESCCc1nc2c(ccc(-c3cc(C)cc(C)c3C)[n+]2C)n1-c1ccccc1
InChIInChI=1S/C24H26N3/c1-6-23-25-24-22(27(23)19-10-8-7-9-11-19)13-12-21(26(24)5)20-15-16(2)14-17(3)18(20)4/h7-15H,6H2,1-5H3/q+1
InChIKeyBUWLCXQWXZPWAM-UHFFFAOYSA-N
XLogP5.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.00
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-5-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyridin-4-ium
CID 123545957
2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123262871
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123162268
2-(2-deuteriopropan-2-yl)-4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 159303631
2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
CID 173238831
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
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123931201
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
6-fluoro-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501250
1-isocyano-9-[1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium-7-yl]carbazole
CID 171459296
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
The IUPAC name of 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium (CID 123964465) is 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium.
What is the SMILES notation for 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
The canonical SMILES for 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium is CCc1nc2c(ccc(-c3cc(C)cc(C)c3C)[n+]2C)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
The InChIKey is BUWLCXQWXZPWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3/c1-6-23-25-24-22(27(23)19-10-8-7-9-11-19)13-12-21(26(24)5)20-15-16(2)14-17(3)18(20)4/h7-15H,6H2,1-5H3/q+1.
What are the key properties of 2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium?
2-ethyl-4-methyl-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium has a molecular weight of 356.49 g/mol, XLogP of 5.00, 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-1-phenyl-5-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 123964465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).