2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole

C22H18N2O2 — CID 162220102

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole
SMILESc1ccc2c(-c3cnc(CCc4ccc5c(c4)OCO5)[nH]3)cccc2c1
InChIInChI=1S/C22H18N2O2/c1-2-6-17-16(4-1)5-3-7-18(17)19-13-23-22(24-19)11-9-15-8-10-20-21(12-15)26-14-25-20/h1-8,10,12-13H,9,11,14H2,(H,23,24)
InChIKeyZTZSJVBTVPHDGR-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.74
Rot. Bonds4

About 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole

2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole (PubChem CID 162220102) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole
PubChem CID162220102
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole
SMILESc1ccc2c(-c3cnc(CCc4ccc5c(c4)OCO5)[nH]3)cccc2c1
InChIInChI=1S/C22H18N2O2/c1-2-6-17-16(4-1)5-3-7-18(17)19-13-23-22(24-19)11-9-15-8-10-20-21(12-15)26-14-25-20/h1-8,10,12-13H,9,11,14H2,(H,23,24)
InChIKeyZTZSJVBTVPHDGR-UHFFFAOYSA-N
XLogP4.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
CID 116879370
2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methylsulfanyl-1H-imidazole
CID 159731485
5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
CID 43651211
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
CID 116880096
5-[2-(1,3-benzodioxol-5-yl)ethyl]-6-[6-[2-(1,3-benzodioxol-5-yl)ethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole
CID 172870982
3-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880138
N-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide
CID 135971614
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920454
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole
CID 116877500
2-(1,3-benzodioxol-5-yl)ethyl-(pyridin-3-ylmethyl)azanium
CID 6997529
2-[6-(1,3-benzodioxol-5-yl)hexyl]-1H-quinolin-4-one
CID 10450485

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole (CID 162220102) is 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole is c1ccc2c(-c3cnc(CCc4ccc5c(c4)OCO5)[nH]3)cccc2c1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole?
The InChIKey is ZTZSJVBTVPHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-6-17-16(4-1)5-3-7-18(17)19-13-23-22(24-19)11-9-15-8-10-20-21(12-15)26-14-25-20/h1-8,10,12-13H,9,11,14H2,(H,23,24).
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole?
2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole has a molecular weight of 342.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-naphthalen-1-yl-1H-imidazole is sourced from PubChem (CID 162220102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).