1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

C16H21ClN2O2 — CID 11962102

IUPAC1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
SMILESC[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-14-11-19-16(20-14,12-18-10-9-17-13-18)8-7-15-5-3-2-4-6-15;/h2-6,9-10,13-14H,7-8,11-12H2,1H3;1H/t14-,16-;/m1./s1
InChIKeyQQSNZKNUOKKWSX-VNYZMKMESA-N
MW308.81 g/mol
LogP3.07
Rot. Bonds5

About 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride (PubChem CID 11962102) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
PubChem CID11962102
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
SMILESC[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-14-11-19-16(20-14,12-18-10-9-17-13-18)8-7-15-5-3-2-4-6-15;/h2-6,9-10,13-14H,7-8,11-12H2,1H3;1H/t14-,16-;/m1./s1
InChIKeyQQSNZKNUOKKWSX-VNYZMKMESA-N
XLogP3.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride (CID 11962102) is 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride is C[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1.Cl.
What is the InChIKey of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
The InChIKey is QQSNZKNUOKKWSX-VNYZMKMESA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-14-11-19-16(20-14,12-18-10-9-17-13-18)8-7-15-5-3-2-4-6-15;/h2-6,9-10,13-14H,7-8,11-12H2,1H3;1H/t14-,16-;/m1./s1.
What are the key properties of 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride?
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 11962102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).