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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Related Compounds

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CID 65906
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CID 49856296
2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 56832449
Azd-1386
CID 23633673
(2S)-2-{[(1S)-1-[4-(1H-1,3-benzodiazol-4-yl)phenyl]-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 23648307
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-(N-methylacetamido)benzimidazole
CID 492673
1,3-diethyl-5-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581385
1,3-diethyl-5-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647078
1-Benzyl-5-fluoro-2-piperazin-1-ylbenzimidazole
CID 9839681
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877

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).