3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol

C20H17N3O — CID 117165093

IUPAC3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
SMILESCc1cccc(-n2c(Cc3cccc(O)c3)nc3cccnc32)c1
InChIInChI=1S/C20H17N3O/c1-14-5-2-7-16(11-14)23-19(13-15-6-3-8-17(24)12-15)22-18-9-4-10-21-20(18)23/h2-12,24H,13H2,1H3
InChIKeyRUABKVDSQNPYBM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.03
Rot. Bonds3

About 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol

3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol (PubChem CID 117165093) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
PubChem CID117165093
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
SMILESCc1cccc(-n2c(Cc3cccc(O)c3)nc3cccnc32)c1
InChIInChI=1S/C20H17N3O/c1-14-5-2-7-16(11-14)23-19(13-15-6-3-8-17(24)12-15)22-18-9-4-10-21-20(18)23/h2-12,24H,13H2,1H3
InChIKeyRUABKVDSQNPYBM-UHFFFAOYSA-N
XLogP4.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
2-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159986
3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159732
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165458
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
2-benzyl-4-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 22723985
3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117164918
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117164957
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
CID 46389154

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol?
The IUPAC name of 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol (CID 117165093) is 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol is Cc1cccc(-n2c(Cc3cccc(O)c3)nc3cccnc32)c1.
What is the InChIKey of 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol?
The InChIKey is RUABKVDSQNPYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-5-2-7-16(11-14)23-19(13-15-6-3-8-17(24)12-15)22-18-9-4-10-21-20(18)23/h2-12,24H,13H2,1H3.
What are the key properties of 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol?
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol has a molecular weight of 315.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol is sourced from PubChem (CID 117165093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).