3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol

C16H17N3O — CID 136750904

IUPAC3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol
SMILESCCCn1c(-c2ccc(O)cc2C)nc2cnccc21
InChIInChI=1S/C16H17N3O/c1-3-8-19-15-6-7-17-10-14(15)18-16(19)13-5-4-12(20)9-11(13)2/h4-7,9-10,20H,3,8H2,1-2H3
InChIKeyDFUXUWVJVBSDNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.52
Rot. Bonds3

About 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol

3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol (PubChem CID 136750904) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol.

Molecular Properties

Compound Name3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol
PubChem CID136750904
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol
SMILESCCCn1c(-c2ccc(O)cc2C)nc2cnccc21
InChIInChI=1S/C16H17N3O/c1-3-8-19-15-6-7-17-10-14(15)18-16(19)13-5-4-12(20)9-11(13)2/h4-7,9-10,20H,3,8H2,1-2H3
InChIKeyDFUXUWVJVBSDNZ-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline
CID 107793644
3-methyl-4-(3-propylimidazo[4,5-b]pyridin-2-yl)phenol
CID 136750908
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
2-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,4-diol
CID 136903815
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704465
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diol
CID 136903824
1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
2-amino-1-propylbenzimidazol-5-ol
CID 84771922
[1-(1-propylimidazo[4,5-c]pyridin-2-yl)cyclobutyl]methanamine
CID 115445776
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol?
The IUPAC name of 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol (CID 136750904) is 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol.
What is the SMILES notation for 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol?
The canonical SMILES for 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol is CCCn1c(-c2ccc(O)cc2C)nc2cnccc21.
What is the InChIKey of 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol?
The InChIKey is DFUXUWVJVBSDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-8-19-15-6-7-17-10-14(15)18-16(19)13-5-4-12(20)9-11(13)2/h4-7,9-10,20H,3,8H2,1-2H3.
What are the key properties of 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol?
3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol has a molecular weight of 267.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol is sourced from PubChem (CID 136750904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).