4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide

C18H19N3O — CID 24624881

IUPAC4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-3-13(2)20-18(22)14-8-10-15(11-9-14)21-12-19-16-6-4-5-7-17(16)21/h4-13H,3H2,1-2H3,(H,20,22)
InChIKeyYAEUFIKQTZUVMA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.55
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide

4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide (PubChem CID 24624881) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
PubChem CID24624881
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-3-13(2)20-18(22)14-8-10-15(11-9-14)21-12-19-16-6-4-5-7-17(16)21/h4-13H,3H2,1-2H3,(H,20,22)
InChIKeyYAEUFIKQTZUVMA-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide (CID 24624881) is 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide?
The InChIKey is YAEUFIKQTZUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-13(2)20-18(22)14-8-10-15(11-9-14)21-12-19-16-6-4-5-7-17(16)21/h4-13H,3H2,1-2H3,(H,20,22).
What are the key properties of 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide?
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide is sourced from PubChem (CID 24624881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).