2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol

C20H21N3O2 — CID 136631599

IUPAC2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESCn1c(-c2ccc(O)cc2)nc2c1CN(Cc1ccccc1O)CC2
InChIInChI=1S/C20H21N3O2/c1-22-18-13-23(12-15-4-2-3-5-19(15)25)11-10-17(18)21-20(22)14-6-8-16(24)9-7-14/h2-9,24-25H,10-13H2,1H3
InChIKeyIHPLVWJBQMLKMA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.06
Rot. Bonds3

About 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol

2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol (PubChem CID 136631599) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
PubChem CID136631599
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
SMILESCn1c(-c2ccc(O)cc2)nc2c1CN(Cc1ccccc1O)CC2
InChIInChI=1S/C20H21N3O2/c1-22-18-13-23(12-15-4-2-3-5-19(15)25)11-10-17(18)21-20(22)14-6-8-16(24)9-7-14/h2-9,24-25H,10-13H2,1H3
InChIKeyIHPLVWJBQMLKMA-UHFFFAOYSA-N
XLogP3.06
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol (CID 136631599) is 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol is Cn1c(-c2ccc(O)cc2)nc2c1CN(Cc1ccccc1O)CC2.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol?
The InChIKey is IHPLVWJBQMLKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-18-13-23(12-15-4-2-3-5-19(15)25)11-10-17(18)21-20(22)14-6-8-16(24)9-7-14/h2-9,24-25H,10-13H2,1H3.
What are the key properties of 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol?
2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol has a molecular weight of 335.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol is sourced from PubChem (CID 136631599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).