5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide

C24H24F3N5O3 — CID 122519180

IUPAC5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide
SMILESCN1C=C(n2cnc3ccccc32)N=C(C(=O)NC(c2ccc(OC(F)(F)F)cc2)C(C)(C)O)C1
InChIInChI=1S/C24H24F3N5O3/c1-23(2,34)21(15-8-10-16(11-9-15)35-24(25,26)27)30-22(33)18-12-31(3)13-20(29-18)32-14-28-17-6-4-5-7-19(17)32/h4-11,13-14,21,34H,12H2,1-3H3,(H,30,33)
InChIKeySVIVHZXZOWVSMQ-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.71
Rot. Bonds6

About 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide

5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide (PubChem CID 122519180) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide
PubChem CID122519180
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide
SMILESCN1C=C(n2cnc3ccccc32)N=C(C(=O)NC(c2ccc(OC(F)(F)F)cc2)C(C)(C)O)C1
InChIInChI=1S/C24H24F3N5O3/c1-23(2,34)21(15-8-10-16(11-9-15)35-24(25,26)27)30-22(33)18-12-31(3)13-20(29-18)32-14-28-17-6-4-5-7-19(17)32/h4-11,13-14,21,34H,12H2,1-3H3,(H,30,33)
InChIKeySVIVHZXZOWVSMQ-UHFFFAOYSA-N
XLogP3.71
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide (CID 122519180) is 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide is CN1C=C(n2cnc3ccccc32)N=C(C(=O)NC(c2ccc(OC(F)(F)F)cc2)C(C)(C)O)C1.
What is the InChIKey of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?
The InChIKey is SVIVHZXZOWVSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-23(2,34)21(15-8-10-16(11-9-15)35-24(25,26)27)30-22(33)18-12-31(3)13-20(29-18)32-14-28-17-6-4-5-7-19(17)32/h4-11,13-14,21,34H,12H2,1-3H3,(H,30,33).
What are the key properties of 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide?
5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-N-[2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-1-methyl-2H-pyrazine-3-carboxamide is sourced from PubChem (CID 122519180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).