4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C14H11F3N4O — CID 24765332

IUPAC4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,18,19)(H,20,22)
InChIKeyOQBWPSLLJDBFNI-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.37
Rot. Bonds2

About 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 24765332) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID24765332
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,18,19)(H,20,22)
InChIKeyOQBWPSLLJDBFNI-UHFFFAOYSA-N
XLogP2.37
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
CID 11150373
4-amino-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56669090
4-amino-1-[[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672556
4-amino-1-[[6-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672557
3-benzyl-2-hydroxy-3H-imidazo[4,5-b]pyridine
CID 910567
Win 62582
CID 5487388
6-amino-9-benzyl-2-(pentylamino)-7H-purin-8-one
CID 9797417
6-amino-9-benzyl-2-methyl-7H-purin-8-one
CID 9816506
6-Amino-9-benzyl-8-hydroxy-2-methoxypurine
CID 9838330
6-amino-9-benzyl-2-(methylamino)-7H-purin-8-one
CID 9881888
6-amino-9-benzyl-2-(ethylamino)-7H-purin-8-one
CID 9925829
6-amino-9-benzyl-2-(propylamino)-7H-purin-8-one
CID 9948195

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 24765332) is 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is OQBWPSLLJDBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,18,19)(H,20,22).
What are the key properties of 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 308.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 24765332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).