2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol

C19H20N6O — CID 165421482

IUPAC2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol
SMILESCN(C)Cc1cc(-c2nccn2Cc2cccc3ncnn23)ccc1O
InChIInChI=1S/C19H20N6O/c1-23(2)11-15-10-14(6-7-17(15)26)19-20-8-9-24(19)12-16-4-3-5-18-21-13-22-25(16)18/h3-10,13,26H,11-12H2,1-2H3
InChIKeyFRFDYXBBJSTRLB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.41
Rot. Bonds5

About 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol

2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol (PubChem CID 165421482) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol
PubChem CID165421482
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol
SMILESCN(C)Cc1cc(-c2nccn2Cc2cccc3ncnn23)ccc1O
InChIInChI=1S/C19H20N6O/c1-23(2)11-15-10-14(6-7-17(15)26)19-20-8-9-24(19)12-16-4-3-5-18-21-13-22-25(16)18/h3-10,13,26H,11-12H2,1-2H3
InChIKeyFRFDYXBBJSTRLB-UHFFFAOYSA-N
XLogP2.41
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyridin-2-amine
CID 165425775
5-[[2-(1-methylimidazol-2-yl)imidazol-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165417829
N-ethyl-5-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]pyrimidin-2-amine;formic acid
CID 166599913
2-bromo-4-(1-ethylimidazol-2-yl)phenol
CID 136822357
N,N-dimethyl-1-[4-[(2-pyrimidin-5-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 154563356
3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
CID 70723626
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 166360892
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
N-methyl-N-[4-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethoxy)phenyl]methanesulfonamide
CID 164699949
1-(4-methylphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)cyclobutan-1-amine
CID 146142352
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
3-methyl-4-[2-[2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazol-1-yl]ethoxy]-1,2,5-oxadiazole
CID 166622304

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol (CID 165421482) is 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol is CN(C)Cc1cc(-c2nccn2Cc2cccc3ncnn23)ccc1O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol?
The InChIKey is FRFDYXBBJSTRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23(2)11-15-10-14(6-7-17(15)26)19-20-8-9-24(19)12-16-4-3-5-18-21-13-22-25(16)18/h3-10,13,26H,11-12H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol?
2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol has a molecular weight of 348.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-[1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)imidazol-2-yl]phenol is sourced from PubChem (CID 165421482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).