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

C26H27N3O2 — CID 16999317

IUPAC1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C26H27N3O2/c30-26(28-15-7-1-2-8-16-28)18-29-24-12-6-5-11-23(24)27-25(29)19-31-22-14-13-20-9-3-4-10-21(20)17-22/h3-6,9-14,17H,1-2,7-8,15-16,18-19H2
InChIKeyZECSBFJTBVXIKG-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.17
Rot. Bonds5

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

1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone (PubChem CID 16999317) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
PubChem CID16999317
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)N1CCCCCC1
InChIInChI=1S/C26H27N3O2/c30-26(28-15-7-1-2-8-16-28)18-29-24-12-6-5-11-23(24)27-25(29)19-31-22-14-13-20-9-3-4-10-21(20)17-22/h3-6,9-14,17H,1-2,7-8,15-16,18-19H2
InChIKeyZECSBFJTBVXIKG-UHFFFAOYSA-N
XLogP5.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
N-cyclohexyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032294
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
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 23990384
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone (CID 16999317) is 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone is O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
The InChIKey is ZECSBFJTBVXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(28-15-7-1-2-8-16-28)18-29-24-12-6-5-11-23(24)27-25(29)19-31-22-14-13-20-9-3-4-10-21(20)17-22/h3-6,9-14,17H,1-2,7-8,15-16,18-19H2.
What are the key properties of 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone?
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone has a molecular weight of 413.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 16999317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).