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

C22H29N3O2 — CID 54761054

IUPAC1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-14-8-9-15(22(5,6)27)12-16(14)17-10-11-18-19(23-17)24(7)20(26)25(18)13-21(2,3)4/h8-12,27H,13H2,1-7H3
InChIKeyQLTCKDVHRJIRHT-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.98
Rot. Bonds3

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

1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 54761054) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID54761054
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C
InChIInChI=1S/C22H29N3O2/c1-14-8-9-15(22(5,6)27)12-16(14)17-10-11-18-19(23-17)24(7)20(26)25(18)13-21(2,3)4/h8-12,27H,13H2,1-7H3
InChIKeyQLTCKDVHRJIRHT-UHFFFAOYSA-N
XLogP3.98
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.98
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-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 54761054) is 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one is Cc1ccc(C(C)(C)O)cc1-c1ccc2c(n1)n(C)c(=O)n2CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is QLTCKDVHRJIRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14-8-9-15(22(5,6)27)12-16(14)17-10-11-18-19(23-17)24(7)20(26)25(18)13-21(2,3)4/h8-12,27H,13H2,1-7H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-5-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.98, 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-(2-hydroxypropan-2-yl)-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54761054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).