cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride

C19H25ClN2O3 — CID 171347006

IUPACcyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride
SMILESCc1cccc([C@H](C)c2cn(COC(=O)OC3CCC3)cn2)c1C.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-13-6-4-9-17(14(13)2)15(3)18-10-21(11-20-18)12-23-19(22)24-16-7-5-8-16;/h4,6,9-11,15-16H,5,7-8,12H2,1-3H3;1H/t15-;/m0./s1
InChIKeyIJEXGXVFDDGDGO-RSAXXLAASA-N
MW364.87 g/mol
LogP4.74
Rot. Bonds5

About cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride

cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride (PubChem CID 171347006) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride.

Molecular Properties

Compound Namecyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride
PubChem CID171347006
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Namecyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride
SMILESCc1cccc([C@H](C)c2cn(COC(=O)OC3CCC3)cn2)c1C.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-13-6-4-9-17(14(13)2)15(3)18-10-21(11-20-18)12-23-19(22)24-16-7-5-8-16;/h4,6,9-11,15-16H,5,7-8,12H2,1-3H3;1H/t15-;/m0./s1
InChIKeyIJEXGXVFDDGDGO-RSAXXLAASA-N
XLogP4.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
The IUPAC name of cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride (CID 171347006) is cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride.
What is the SMILES notation for cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
The canonical SMILES for cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride is Cc1cccc([C@H](C)c2cn(COC(=O)OC3CCC3)cn2)c1C.Cl.
What is the InChIKey of cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
The InChIKey is IJEXGXVFDDGDGO-RSAXXLAASA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-13-6-4-9-17(14(13)2)15(3)18-10-21(11-20-18)12-23-19(22)24-16-7-5-8-16;/h4,6,9-11,15-16H,5,7-8,12H2,1-3H3;1H/t15-;/m0./s1.
What are the key properties of cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride is sourced from PubChem (CID 171347006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).