3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide

C20H24N4O2 — CID 140706446

IUPAC3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
SMILES[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(O)C3CCC3)n(C3CCC3)c2c1
InChIInChI=1S/C20H24N4O2/c1-20(26,13-5-3-6-13)12-18(25)23-19-22-16-10-9-14(21-2)11-17(16)24(19)15-7-4-8-15/h9-11,13,15,26H,3-8,12H2,1H3,(H,22,23,25)
InChIKeyLMWLXMJUNAMNJK-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.19
Rot. Bonds5

About 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide

3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide (PubChem CID 140706446) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide.

Molecular Properties

Compound Name3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
PubChem CID140706446
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
SMILES[C-]#[N+]c1ccc2nc(NC(=O)CC(C)(O)C3CCC3)n(C3CCC3)c2c1
InChIInChI=1S/C20H24N4O2/c1-20(26,13-5-3-6-13)12-18(25)23-19-22-16-10-9-14(21-2)11-17(16)24(19)15-7-4-8-15/h9-11,13,15,26H,3-8,12H2,1H3,(H,22,23,25)
InChIKeyLMWLXMJUNAMNJK-UHFFFAOYSA-N
XLogP4.19
TPSA71.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide?
The IUPAC name of 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide (CID 140706446) is 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide.
What is the SMILES notation for 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide?
The canonical SMILES for 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide is [C-]#[N+]c1ccc2nc(NC(=O)CC(C)(O)C3CCC3)n(C3CCC3)c2c1.
What is the InChIKey of 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide?
The InChIKey is LMWLXMJUNAMNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(26,13-5-3-6-13)12-18(25)23-19-22-16-10-9-14(21-2)11-17(16)24(19)15-7-4-8-15/h9-11,13,15,26H,3-8,12H2,1H3,(H,22,23,25).
What are the key properties of 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide?
3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide has a molecular weight of 352.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide is sourced from PubChem (CID 140706446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).