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

C19H24N3+ — CID 166501141

IUPAC1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium
SMILESCc1cc(C)c(C)c(-c2n(C)c3cccnc3[n+]2C(C)C)c1
InChIInChI=1S/C19H24N3/c1-12(2)22-18-17(8-7-9-20-18)21(6)19(22)16-11-13(3)10-14(4)15(16)5/h7-12H,1-6H3/q+1
InChIKeyDXTDJYMTLUDLLT-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.03
Rot. Bonds2

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

1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium (PubChem CID 166501141) has the molecular formula C19H24N3+ and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium
PubChem CID166501141
Molecular FormulaC19H24N3+
Molecular Weight294.42 g/mol
Exact Mass294.20
IUPAC Name1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium
SMILESCc1cc(C)c(C)c(-c2n(C)c3cccnc3[n+]2C(C)C)c1
InChIInChI=1S/C19H24N3/c1-12(2)22-18-17(8-7-9-20-18)21(6)19(22)16-11-13(3)10-14(4)15(16)5/h7-12H,1-6H3/q+1
InChIKeyDXTDJYMTLUDLLT-UHFFFAOYSA-N
XLogP4.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.03
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

3-ethyl-1,2-dimethylimidazo[4,5-b]pyridin-3-ium
CID 158502094
3-[2,6-di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)imidazo[4,5-c]pyridin-5-ium
CID 123802828
5,7,9-trimethylpyrido[2,3-b]indole
CID 20672284
11-methyl-12-(2,3,5-trimethylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 158489946
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
3-[3-(2,3-dimethylphenyl)-2-pyridinyl]-1-methyl-4-propan-2-ylbenzimidazol-3-ium
CID 123485830
3-methyl-1-[5-(3-methylimidazo[4,5-b]pyridin-3-ium-1-yl)-3-pyridinyl]imidazo[4,5-b]pyridin-3-ium
CID 88866559
6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 130343559
2,3-dimethyl-1-oxidopyrido[2,3-b]pyrazin-4-ium 4-oxide
CID 12594650
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium
CID 158178011
3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 114057025

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium?
The IUPAC name of 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium (CID 166501141) is 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium.
What is the SMILES notation for 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium?
The canonical SMILES for 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium is Cc1cc(C)c(C)c(-c2n(C)c3cccnc3[n+]2C(C)C)c1.
What is the InChIKey of 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium?
The InChIKey is DXTDJYMTLUDLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N3/c1-12(2)22-18-17(8-7-9-20-18)21(6)19(22)16-11-13(3)10-14(4)15(16)5/h7-12H,1-6H3/q+1.
What are the key properties of 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium?
1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium has a molecular weight of 294.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-2-(2,3,5-trimethylphenyl)imidazo[4,5-b]pyridin-3-ium is sourced from PubChem (CID 166501141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).