4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol

C21H18N2O2 — CID 137301505

IUPAC4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol
SMILESCOc1cc(C2=NCC(C)=N2)c(O)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C21H18N2O2/c1-13-12-22-21(23-13)19-11-15(25-2)10-18(20(19)24)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,24H,12H2,1-2H3
InChIKeyLGHDNHOWOLFNAS-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.44
Rot. Bonds3

About 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol

4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol (PubChem CID 137301505) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol.

Molecular Properties

Compound Name4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol
PubChem CID137301505
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol
SMILESCOc1cc(C2=NCC(C)=N2)c(O)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C21H18N2O2/c1-13-12-22-21(23-13)19-11-15(25-2)10-18(20(19)24)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,24H,12H2,1-2H3
InChIKeyLGHDNHOWOLFNAS-UHFFFAOYSA-N
XLogP4.44
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[10-(3-methoxynaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163532535
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 101241587
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
9-(2,6-dimethyl-4-naphthalen-1-ylphenyl)-10-(4-methoxy-2,6-dimethylphenyl)anthracene
CID 88542893
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
5-(4-methoxyphenyl)-4-naphthalen-1-yldithiol-3-one
CID 25213531
2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
CID 139908520

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol?
The IUPAC name of 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol (CID 137301505) is 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol.
What is the SMILES notation for 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol?
The canonical SMILES for 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol is COc1cc(C2=NCC(C)=N2)c(O)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol?
The InChIKey is LGHDNHOWOLFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13-12-22-21(23-13)19-11-15(25-2)10-18(20(19)24)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,24H,12H2,1-2H3.
What are the key properties of 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol?
4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol has a molecular weight of 330.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-methyl-4H-imidazol-2-yl)-6-naphthalen-1-ylphenol is sourced from PubChem (CID 137301505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).