5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one

C15H12F3N7O — CID 133453467

IUPAC5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H12F3N7O/c1-7-4-11(25-13(20-7)23-12(24-25)15(16,17)18)19-6-8-2-3-9-10(5-8)22-14(26)21-9/h2-5,19H,6H2,1H3,(H2,21,22,26)
InChIKeyQZMRBCGQMQCEDW-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.23
Rot. Bonds3

About 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 133453467) has the molecular formula C15H12F3N7O and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID133453467
Molecular FormulaC15H12F3N7O
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H12F3N7O/c1-7-4-11(25-13(20-7)23-12(24-25)15(16,17)18)19-6-8-2-3-9-10(5-8)22-14(26)21-9/h2-5,19H,6H2,1H3,(H2,21,22,26)
InChIKeyQZMRBCGQMQCEDW-UHFFFAOYSA-N
XLogP2.23
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one 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

N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
N-[[3-(difluoromethoxy)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430311
(2S)-2-N-benzyl-3,3,3-trifluoro-1-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
CID 124721244
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287054
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074
5-methyl-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133380513
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26645257
5-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133439798
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55590946
5-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 127265997
methyl 2-cyclopropyl-6-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine-3-carboxylate
CID 133460161

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 133453467) is 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one is Cc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QZMRBCGQMQCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N7O/c1-7-4-11(25-13(20-7)23-12(24-25)15(16,17)18)19-6-8-2-3-9-10(5-8)22-14(26)21-9/h2-5,19H,6H2,1H3,(H2,21,22,26).
What are the key properties of 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 363.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 133453467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).