1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

C19H21ClN2O2 — CID 12698930

IUPAC1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
SMILESCCc1ccc2cc(C3(Cn4ccnc4)OCCO3)ccc2c1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-2-15-3-4-17-12-18(6-5-16(17)11-15)19(22-9-10-23-19)13-21-8-7-20-14-21;/h3-8,11-12,14H,2,9-10,13H2,1H3;1H
InChIKeyVKCIXRLUCLYFHY-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.92
Rot. Bonds4

About 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride (PubChem CID 12698930) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
PubChem CID12698930
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
SMILESCCc1ccc2cc(C3(Cn4ccnc4)OCCO3)ccc2c1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-2-15-3-4-17-12-18(6-5-16(17)11-15)19(22-9-10-23-19)13-21-8-7-20-14-21;/h3-8,11-12,14H,2,9-10,13H2,1H3;1H
InChIKeyVKCIXRLUCLYFHY-UHFFFAOYSA-N
XLogP3.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride (CID 12698930) is 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride is CCc1ccc2cc(C3(Cn4ccnc4)OCCO3)ccc2c1.Cl.
What is the InChIKey of 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The InChIKey is VKCIXRLUCLYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c1-2-15-3-4-17-12-18(6-5-16(17)11-15)19(22-9-10-23-19)13-21-8-7-20-14-21;/h3-8,11-12,14H,2,9-10,13H2,1H3;1H.
What are the key properties of 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-ethylnaphthalen-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 12698930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).