1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one

C20H25N3O2 — CID 86691853

IUPAC1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(CO)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C
InChIInChI=1S/C20H25N3O2/c1-13-6-7-14(11-24)10-15(13)16-8-9-17-18(21-16)22(5)19(25)23(17)12-20(2,3)4/h6-10,24H,11-12H2,1-5H3
InChIKeyDWXLBPCMGAGPJI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 86691853) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID86691853
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(CO)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C
InChIInChI=1S/C20H25N3O2/c1-13-6-7-14(11-24)10-15(13)16-8-9-17-18(21-16)22(5)19(25)23(17)12-20(2,3)4/h6-10,24H,11-12H2,1-5H3
InChIKeyDWXLBPCMGAGPJI-UHFFFAOYSA-N
XLogP3.25
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 86691853) is 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one is Cc1ccc(CO)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is DWXLBPCMGAGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-6-7-14(11-24)10-15(13)16-8-9-17-18(21-16)22(5)19(25)23(17)12-20(2,3)4/h6-10,24H,11-12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 339.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 86691853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).