N-[2-(benzimidazol-1-yl)ethyl]butanamide

C13H17N3O — CID 47404733

IUPACN-[2-(benzimidazol-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-2-5-13(17)14-8-9-16-10-15-11-6-3-4-7-12(11)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,14,17)
InChIKeyLXDULVGKGFHCBD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(benzimidazol-1-yl)ethyl]butanamide

N-[2-(benzimidazol-1-yl)ethyl]butanamide (PubChem CID 47404733) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]butanamide
PubChem CID47404733
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCn1cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-2-5-13(17)14-8-9-16-10-15-11-6-3-4-7-12(11)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,14,17)
InChIKeyLXDULVGKGFHCBD-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
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3-(benzimidazol-1-yl)-N-benzylpropanamide
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N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
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3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]butanamide (CID 47404733) is N-[2-(benzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]butanamide is CCCC(=O)NCCn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]butanamide?
The InChIKey is LXDULVGKGFHCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-5-13(17)14-8-9-16-10-15-11-6-3-4-7-12(11)16/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]butanamide?
N-[2-(benzimidazol-1-yl)ethyl]butanamide has a molecular weight of 231.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 47404733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).