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

C20H20FN5O — CID 71125104

IUPACN-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
SMILESCC(C)(N)c1ccc(CNC(=O)Cn2cnc3cccc(C#N)c32)cc1F
InChIInChI=1S/C20H20FN5O/c1-20(2,23)15-7-6-13(8-16(15)21)10-24-18(27)11-26-12-25-17-5-3-4-14(9-22)19(17)26/h3-8,12H,10-11,23H2,1-2H3,(H,24,27)
InChIKeyZUBCNGKLTYKDIB-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.56
Rot. Bonds5

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

N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide (PubChem CID 71125104) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
PubChem CID71125104
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
SMILESCC(C)(N)c1ccc(CNC(=O)Cn2cnc3cccc(C#N)c32)cc1F
InChIInChI=1S/C20H20FN5O/c1-20(2,23)15-7-6-13(8-16(15)21)10-24-18(27)11-26-12-25-17-5-3-4-14(9-22)19(17)26/h3-8,12H,10-11,23H2,1-2H3,(H,24,27)
InChIKeyZUBCNGKLTYKDIB-UHFFFAOYSA-N
XLogP2.56
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide (CID 71125104) is N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide is CC(C)(N)c1ccc(CNC(=O)Cn2cnc3cccc(C#N)c32)cc1F.
What is the InChIKey of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide?
The InChIKey is ZUBCNGKLTYKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-20(2,23)15-7-6-13(8-16(15)21)10-24-18(27)11-26-12-25-17-5-3-4-14(9-22)19(17)26/h3-8,12H,10-11,23H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide?
N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 71125104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).