1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride

C19H21ClN2O2 — CID 12698934

IUPAC1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
SMILESCC1CCOC(Cn2ccnc2)(c2ccc3ccccc3c2)O1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-15-8-11-22-19(23-15,13-21-10-9-20-14-21)18-7-6-16-4-2-3-5-17(16)12-18;/h2-7,9-10,12,14-15H,8,11,13H2,1H3;1H
InChIKeyQCWDZHJMIIQJIA-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.14
Rot. Bonds3

About 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride

1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride (PubChem CID 12698934) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
PubChem CID12698934
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
SMILESCC1CCOC(Cn2ccnc2)(c2ccc3ccccc3c2)O1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-15-8-11-22-19(23-15,13-21-10-9-20-14-21)18-7-6-16-4-2-3-5-17(16)12-18;/h2-7,9-10,12,14-15H,8,11,13H2,1H3;1H
InChIKeyQCWDZHJMIIQJIA-UHFFFAOYSA-N
XLogP4.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxolan-2-yl)methyl]-1,2,4-triazole
CID 11460634
1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 54232065
[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
CID 13480565
1-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
CID 21154021
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
2-(bromomethyl)-2-naphthalen-2-yl-1,3-dioxolane
CID 607997
[4-[[(2R,4R)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-phenylmethanone
CID 54492013
1-[[2-(5,7-dimethoxy-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 11971841
1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 3062617
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
CID 54524191
1-[[2-[4-(3,4-dichlorophenoxy)phenyl]-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54377201

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride?
The IUPAC name of 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride (CID 12698934) is 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride is CC1CCOC(Cn2ccnc2)(c2ccc3ccccc3c2)O1.Cl.
What is the InChIKey of 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride?
The InChIKey is QCWDZHJMIIQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c1-15-8-11-22-19(23-15,13-21-10-9-20-14-21)18-7-6-16-4-2-3-5-17(16)12-18;/h2-7,9-10,12,14-15H,8,11,13H2,1H3;1H.
What are the key properties of 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride?
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 12698934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).