2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

C20H20F3N7O — CID 16614949

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C20H20F3N7O/c1-11-14(12(2)30-19(25-11)27-18(28-30)20(21,22)23)10-17(31)24-8-9-29-13(3)26-15-6-4-5-7-16(15)29/h4-7H,8-10H2,1-3H3,(H,24,31)
InChIKeyBVZZBAWLSDBVQO-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.78
Rot. Bonds5

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 16614949) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID16614949
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C20H20F3N7O/c1-11-14(12(2)30-19(25-11)27-18(28-30)20(21,22)23)10-17(31)24-8-9-29-13(3)26-15-6-4-5-7-16(15)29/h4-7H,8-10H2,1-3H3,(H,24,31)
InChIKeyBVZZBAWLSDBVQO-UHFFFAOYSA-N
XLogP2.78
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16615026
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 24615580
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylmethoxyacetamide
CID 18146763
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-naphthalen-2-ylacetamide
CID 24615564
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 18152465
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 30237729
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 47022174
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 16622619
5,7-dimethyl-6-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55822218

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 16614949) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is BVZZBAWLSDBVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-11-14(12(2)30-19(25-11)27-18(28-30)20(21,22)23)10-17(31)24-8-9-29-13(3)26-15-6-4-5-7-16(15)29/h4-7H,8-10H2,1-3H3,(H,24,31).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 431.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 16614949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).