1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone

C24H23N3O3 — CID 16999437

IUPAC1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(COc2cccc3ccccc23)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C24H23N3O3/c28-24(26-12-14-29-15-13-26)16-27-21-10-4-3-9-20(21)25-23(27)17-30-22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
InChIKeyBAANDMDYLLIXCA-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.63
Rot. Bonds5

About 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone

1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone (PubChem CID 16999437) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
PubChem CID16999437
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(COc2cccc3ccccc23)nc2ccccc21)N1CCOCC1
InChIInChI=1S/C24H23N3O3/c28-24(26-12-14-29-15-13-26)16-27-21-10-4-3-9-20(21)25-23(27)17-30-22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2
InChIKeyBAANDMDYLLIXCA-UHFFFAOYSA-N
XLogP3.63
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032265
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999427
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032268
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972336

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone (CID 16999437) is 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone is O=C(Cn1c(COc2cccc3ccccc23)nc2ccccc21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone?
The InChIKey is BAANDMDYLLIXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-24(26-12-14-29-15-13-26)16-27-21-10-4-3-9-20(21)25-23(27)17-30-22-11-5-7-18-6-1-2-8-19(18)22/h1-11H,12-17H2.
What are the key properties of 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone?
1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone has a molecular weight of 401.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 16999437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).