3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide

C22H26FN3O2 — CID 110420339

IUPAC3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
SMILESCC(C)C(CC(=O)NCCCn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-15(2)18(16-8-10-17(23)11-9-16)14-21(27)24-12-5-13-26-20-7-4-3-6-19(20)25-22(26)28/h3-4,6-11,15,18H,5,12-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZYFWAGDHYYQUGU-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.80
Rot. Bonds8

About 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide

3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide (PubChem CID 110420339) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
PubChem CID110420339
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
SMILESCC(C)C(CC(=O)NCCCn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-15(2)18(16-8-10-17(23)11-9-16)14-21(27)24-12-5-13-26-20-7-4-3-6-19(20)25-22(26)28/h3-4,6-11,15,18H,5,12-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZYFWAGDHYYQUGU-UHFFFAOYSA-N
XLogP3.80
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide (CID 110420339) is 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide is CC(C)C(CC(=O)NCCCn1c(=O)[nH]c2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide?
The InChIKey is ZYFWAGDHYYQUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15(2)18(16-8-10-17(23)11-9-16)14-21(27)24-12-5-13-26-20-7-4-3-6-19(20)25-22(26)28/h3-4,6-11,15,18H,5,12-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide?
3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide has a molecular weight of 383.47 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide is sourced from PubChem (CID 110420339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).