N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide

C19H19F3N4O — CID 71125333

IUPACN-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
SMILESCC(C)(N)c1ccc(CNC(=O)Cn2cnc3ccc(F)c(F)c32)cc1F
InChIInChI=1S/C19H19F3N4O/c1-19(2,23)12-4-3-11(7-14(12)21)8-24-16(27)9-26-10-25-15-6-5-13(20)17(22)18(15)26/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)
InChIKeyYARVOMATMGKRGA-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.96
Rot. Bonds5

About N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide

N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide (PubChem CID 71125333) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
PubChem CID71125333
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide
SMILESCC(C)(N)c1ccc(CNC(=O)Cn2cnc3ccc(F)c(F)c32)cc1F
InChIInChI=1S/C19H19F3N4O/c1-19(2,23)12-4-3-11(7-14(12)21)8-24-16(27)9-26-10-25-15-6-5-13(20)17(22)18(15)26/h3-7,10H,8-9,23H2,1-2H3,(H,24,27)
InChIKeyYARVOMATMGKRGA-UHFFFAOYSA-N
XLogP2.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide (CID 71125333) is N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide is CC(C)(N)c1ccc(CNC(=O)Cn2cnc3ccc(F)c(F)c32)cc1F.
What is the InChIKey of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide?
The InChIKey is YARVOMATMGKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-19(2,23)12-4-3-11(7-14(12)21)8-24-16(27)9-26-10-25-15-6-5-13(20)17(22)18(15)26/h3-7,10H,8-9,23H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide?
N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(6,7-difluorobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 71125333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).