N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide

C24H25N3O — CID 17033393

IUPACN-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C24H25N3O/c1-2-3-15-25-24(28)17-27-22-14-7-6-13-21(22)26-23(27)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14H,2-3,15-17H2,1H3,(H,25,28)
InChIKeyVWEILNALRQJONN-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.70
Rot. Bonds7

About N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide

N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 17033393) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
PubChem CID17033393
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C24H25N3O/c1-2-3-15-25-24(28)17-27-22-14-7-6-13-21(22)26-23(27)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14H,2-3,15-17H2,1H3,(H,25,28)
InChIKeyVWEILNALRQJONN-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-butylacetamide
CID 17030211
N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032388
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
CID 16980695
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033417
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide (CID 17033393) is N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide is CCCCNC(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is VWEILNALRQJONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-2-3-15-25-24(28)17-27-22-14-7-6-13-21(22)26-23(27)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14H,2-3,15-17H2,1H3,(H,25,28).
What are the key properties of N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).