methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole

C27H32N2O3 — CID 160669868

IUPACmethane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESC.COc1ccc(-c2ccc3cc(OCC4CCCCO4)c(C4=NCCN4)cc3c2)cc1
InChIInChI=1S/C26H28N2O3.CH4/c1-29-22-9-7-18(8-10-22)19-5-6-20-16-25(31-17-23-4-2-3-13-30-23)24(15-21(20)14-19)26-27-11-12-28-26;/h5-10,14-16,23H,2-4,11-13,17H2,1H3,(H,27,28);1H4
InChIKeyRMUBQNUBWRQIEL-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.45
Rot. Bonds6

About methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole

methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 160669868) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Namemethane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID160669868
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Namemethane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESC.COc1ccc(-c2ccc3cc(OCC4CCCCO4)c(C4=NCCN4)cc3c2)cc1
InChIInChI=1S/C26H28N2O3.CH4/c1-29-22-9-7-18(8-10-22)19-5-6-20-16-25(31-17-23-4-2-3-13-30-23)24(15-21(20)14-19)26-27-11-12-28-26;/h5-10,14-16,23H,2-4,11-13,17H2,1H3,(H,27,28);1H4
InChIKeyRMUBQNUBWRQIEL-UHFFFAOYSA-N
XLogP5.45
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine
CID 172671316
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259
2-[[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]methyl]oxane
CID 104706796
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
5-[4-[4-(oxan-2-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
CID 90314902
4-butoxy-7-(4-ethoxyphenyl)-2-(oxan-2-ylmethoxy)quinoline
CID 176645125

Frequently Asked Questions

What is the IUPAC name of methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole (CID 160669868) is methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole is C.COc1ccc(-c2ccc3cc(OCC4CCCCO4)c(C4=NCCN4)cc3c2)cc1.
What is the InChIKey of methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is RMUBQNUBWRQIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3.CH4/c1-29-22-9-7-18(8-10-22)19-5-6-20-16-25(31-17-23-4-2-3-13-30-23)24(15-21(20)14-19)26-27-11-12-28-26;/h5-10,14-16,23H,2-4,11-13,17H2,1H3,(H,27,28);1H4.
What are the key properties of methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 432.56 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 160669868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).