5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

C20H18N4O — CID 11404740

IUPAC5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(Nc2ccc3[nH]c(=O)n(-c4ccc(C)cc4)c3n2)cc1
InChIInChI=1S/C20H18N4O/c1-13-3-7-15(8-4-13)21-18-12-11-17-19(23-18)24(20(25)22-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,21,23)(H,22,25)
InChIKeyIJDUTZVKTKMOMC-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.07
Rot. Bonds3

About 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one

5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 11404740) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID11404740
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(Nc2ccc3[nH]c(=O)n(-c4ccc(C)cc4)c3n2)cc1
InChIInChI=1S/C20H18N4O/c1-13-3-7-15(8-4-13)21-18-12-11-17-19(23-18)24(20(25)22-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,21,23)(H,22,25)
InChIKeyIJDUTZVKTKMOMC-UHFFFAOYSA-N
XLogP4.07
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 11404740) is 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is Cc1ccc(Nc2ccc3[nH]c(=O)n(-c4ccc(C)cc4)c3n2)cc1.
What is the InChIKey of 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IJDUTZVKTKMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-3-7-15(8-4-13)21-18-12-11-17-19(23-18)24(20(25)22-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one?
5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 330.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 11404740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).