2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile

C15H9F3N4O2 — CID 162619743

IUPAC2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile
SMILESN#Cc1cc(C(=O)C2=CNC3N=CC(C(F)(F)F)=CN23)ccc1O
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)10-5-20-14-21-6-11(22(14)7-10)13(24)8-1-2-12(23)9(3-8)4-19/h1-3,5-7,14,21,23H
InChIKeyPAUSUPRJFBOHBP-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.01
Rot. Bonds2

About 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile

2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile (PubChem CID 162619743) has the molecular formula C15H9F3N4O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile
PubChem CID162619743
Molecular FormulaC15H9F3N4O2
Molecular Weight334.26 g/mol
Exact Mass334.07
IUPAC Name2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile
SMILESN#Cc1cc(C(=O)C2=CNC3N=CC(C(F)(F)F)=CN23)ccc1O
InChIInChI=1S/C15H9F3N4O2/c16-15(17,18)10-5-20-14-21-6-11(22(14)7-10)13(24)8-1-2-12(23)9(3-8)4-19/h1-3,5-7,14,21,23H
InChIKeyPAUSUPRJFBOHBP-UHFFFAOYSA-N
XLogP2.01
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-4-hydroxybenzohydrazide;2,2,2-trifluoroacetic acid
CID 162327714
5-(2-aminoacetyl)-2-hydroxybenzonitrile
CID 84767083
4-cyano-3-(trifluoromethyl)benzoic acid
CID 91882481
5-[5-ethyl-1-[(E)-2-fluoroprop-1-enyl]-2-(methylideneamino)imidazole-4-carbonyl]-2-hydroxybenzonitrile
CID 155328060
4-acetyl-5-hydroxy-2-(trifluoromethyl)benzonitrile
CID 171019981
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342703
3-(3-cyanoprop-1-ynyl)-4-hydroxybenzoic acid
CID 170475142
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
2-(3-cyano-4-hydroxyphenyl)butanoic acid
CID 84778234
methyl 3-cyano-4-hydroxybenzoate;methyl 3-cyano-4-methoxybenzoate
CID 67553335
(3-cyano-4-hydroxyphenyl) formate
CID 174924590

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile?
The IUPAC name of 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile (CID 162619743) is 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile.
What is the SMILES notation for 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile?
The canonical SMILES for 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile is N#Cc1cc(C(=O)C2=CNC3N=CC(C(F)(F)F)=CN23)ccc1O.
What is the InChIKey of 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile?
The InChIKey is PAUSUPRJFBOHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O2/c16-15(17,18)10-5-20-14-21-6-11(22(14)7-10)13(24)8-1-2-12(23)9(3-8)4-19/h1-3,5-7,14,21,23H.
What are the key properties of 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile?
2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile has a molecular weight of 334.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[6-(trifluoromethyl)-1,8a-dihydroimidazo[1,2-a]pyrimidine-3-carbonyl]benzonitrile is sourced from PubChem (CID 162619743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).