3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol

C16H17N3O — CID 117159732

IUPAC3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESCc1cccc(-n2c(CCCO)nc3cccnc32)c1
InChIInChI=1S/C16H17N3O/c1-12-5-2-6-13(11-12)19-15(8-4-10-20)18-14-7-3-9-17-16(14)19/h2-3,5-7,9,11,20H,4,8,10H2,1H3
InChIKeyKBEUEGGEHQWNLU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.65
Rot. Bonds4

About 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol

3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol (PubChem CID 117159732) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
PubChem CID117159732
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESCc1cccc(-n2c(CCCO)nc3cccnc32)c1
InChIInChI=1S/C16H17N3O/c1-12-5-2-6-13(11-12)19-15(8-4-10-20)18-14-7-3-9-17-16(14)19/h2-3,5-7,9,11,20H,4,8,10H2,1H3
InChIKeyKBEUEGGEHQWNLU-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159986
3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol
CID 50950007
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159759
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 82487047
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
N-[(4-methylphenyl)methyl]-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)butanamide
CID 50806674
2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
CID 46389154
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481510
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol (CID 117159732) is 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol is Cc1cccc(-n2c(CCCO)nc3cccnc32)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The InChIKey is KBEUEGGEHQWNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-5-2-6-13(11-12)19-15(8-4-10-20)18-14-7-3-9-17-16(14)19/h2-3,5-7,9,11,20H,4,8,10H2,1H3.
What are the key properties of 3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 2.65, 4 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]propan-1-ol is sourced from PubChem (CID 117159732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).