2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone

C30H22N2O3 — CID 23990384

IUPAC2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)n1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C30H22N2O3/c33-30(20-35-26-16-14-22-8-2-4-10-24(22)18-26)32-28-12-6-5-11-27(28)31-29(32)19-34-25-15-13-21-7-1-3-9-23(21)17-25/h1-18H,19-20H2
InChIKeyCTUSLEFSOSALOQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.64
Rot. Bonds6

About 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone

2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone (PubChem CID 23990384) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
PubChem CID23990384
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)n1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C30H22N2O3/c33-30(20-35-26-16-14-22-8-2-4-10-24(22)18-26)32-28-12-6-5-11-27(28)31-29(32)19-34-25-15-13-21-7-1-3-9-23(21)17-25/h1-18H,19-20H2
InChIKeyCTUSLEFSOSALOQ-UHFFFAOYSA-N
XLogP6.64
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
CID 16999333
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
CID 23938133
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
N-cyclohexyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032294
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
CID 84750974

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone (CID 23990384) is 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)n1c(COc2ccc3ccccc3c2)nc2ccccc21.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
The InChIKey is CTUSLEFSOSALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c33-30(20-35-26-16-14-22-8-2-4-10-24(22)18-26)32-28-12-6-5-11-27(28)31-29(32)19-34-25-15-13-21-7-1-3-9-23(21)17-25/h1-18H,19-20H2.
What are the key properties of 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone has a molecular weight of 458.52 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 23990384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).