2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole

C22H20N2O3 — CID 11559546

IUPAC2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1cc(-n2ccnc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)24-11-10-23-22(24)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3
InChIKeyNJSASTDWMGNLHN-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.72
Rot. Bonds5

About 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole

2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole (PubChem CID 11559546) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole
PubChem CID11559546
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole
SMILESCOc1cc(-n2ccnc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)24-11-10-23-22(24)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3
InChIKeyNJSASTDWMGNLHN-UHFFFAOYSA-N
XLogP4.72
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole?
The IUPAC name of 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole (CID 11559546) is 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole.
What is the SMILES notation for 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole?
The canonical SMILES for 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole is COc1cc(-n2ccnc2-c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole?
The InChIKey is NJSASTDWMGNLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-19-13-18(14-20(26-2)21(19)27-3)24-11-10-23-22(24)17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3.
What are the key properties of 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole?
2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole has a molecular weight of 360.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)imidazole is sourced from PubChem (CID 11559546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).