3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one

C22H20N2O2 — CID 16999333

IUPAC3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
SMILESCC(=O)C(C)n1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C22H20N2O2/c1-15(16(2)25)24-21-10-6-5-9-20(21)23-22(24)14-26-19-12-11-17-7-3-4-8-18(17)13-19/h3-13,15H,14H2,1-2H3
InChIKeyBVILPKHBEXCERM-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.92
Rot. Bonds5

About 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one

3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one (PubChem CID 16999333) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one.

Molecular Properties

Compound Name3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
PubChem CID16999333
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
SMILESCC(=O)C(C)n1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C22H20N2O2/c1-15(16(2)25)24-21-10-6-5-9-20(21)23-22(24)14-26-19-12-11-17-7-3-4-8-18(17)13-19/h3-13,15H,14H2,1-2H3
InChIKeyBVILPKHBEXCERM-UHFFFAOYSA-N
XLogP4.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 23990384
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 32735745
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
2-(4-chlorophenoxy)-N-[3-[1-(3-oxobutan-2-yl)benzimidazol-2-yl]propyl]acetamide
CID 16986533
2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144856
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978

Frequently Asked Questions

What is the IUPAC name of 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one?
The IUPAC name of 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one (CID 16999333) is 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one.
What is the SMILES notation for 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one?
The canonical SMILES for 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one is CC(=O)C(C)n1c(COc2ccc3ccccc3c2)nc2ccccc21.
What is the InChIKey of 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one?
The InChIKey is BVILPKHBEXCERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15(16(2)25)24-21-10-6-5-9-20(21)23-22(24)14-26-19-12-11-17-7-3-4-8-18(17)13-19/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one?
3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one is sourced from PubChem (CID 16999333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).