4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide

C16H20FN3O3 — CID 156517963

IUPAC4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)n1c(=O)[nH]c2cc(C(C)C)c(F)cc21
InChIInChI=1S/C16H20FN3O3/c1-9(2)11-6-13-14(7-12(11)17)20(16(23)19-13)10(8-21)4-5-15(22)18-3/h6-10H,4-5H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyAJDPYJQSDQKGLF-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.86
Rot. Bonds6

About 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide

4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide (PubChem CID 156517963) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide
PubChem CID156517963
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)n1c(=O)[nH]c2cc(C(C)C)c(F)cc21
InChIInChI=1S/C16H20FN3O3/c1-9(2)11-6-13-14(7-12(11)17)20(16(23)19-13)10(8-21)4-5-15(22)18-3/h6-10H,4-5H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyAJDPYJQSDQKGLF-UHFFFAOYSA-N
XLogP1.86
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide?
The IUPAC name of 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide (CID 156517963) is 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)n1c(=O)[nH]c2cc(C(C)C)c(F)cc21.
What is the InChIKey of 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide?
The InChIKey is AJDPYJQSDQKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-9(2)11-6-13-14(7-12(11)17)20(16(23)19-13)10(8-21)4-5-15(22)18-3/h6-10H,4-5H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide?
4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide has a molecular weight of 321.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-oxo-5-propan-2-yl-3H-benzimidazol-1-yl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 156517963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).