1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one

C19H20N6O — CID 86694221

IUPAC1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(NC2CC(n3c(=O)n(C)c4cccnc43)C2)nc2ccccc21
InChIInChI=1S/C19H20N6O/c1-23-15-7-4-3-6-14(15)22-18(23)21-12-10-13(11-12)25-17-16(8-5-9-20-17)24(2)19(25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)
InChIKeyCMKSEJROMIHOKQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.44
Rot. Bonds3

About 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one

1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 86694221) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one
PubChem CID86694221
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one
SMILESCn1c(NC2CC(n3c(=O)n(C)c4cccnc43)C2)nc2ccccc21
InChIInChI=1S/C19H20N6O/c1-23-15-7-4-3-6-14(15)22-18(23)21-12-10-13(11-12)25-17-16(8-5-9-20-17)24(2)19(25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)
InChIKeyCMKSEJROMIHOKQ-UHFFFAOYSA-N
XLogP2.44
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one (CID 86694221) is 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one is Cn1c(NC2CC(n3c(=O)n(C)c4cccnc43)C2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is CMKSEJROMIHOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23-15-7-4-3-6-14(15)22-18(23)21-12-10-13(11-12)25-17-16(8-5-9-20-17)24(2)19(25)26/h3-9,12-13H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one?
1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 86694221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).