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

C18H23ClN2O3 — CID 171346761

IUPACcyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride
SMILESCc1cccc([C@H](C)c2cn(COC(=O)OC3CC3)cn2)c1C.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-5-4-6-16(13(12)2)14(3)17-9-20(10-19-17)11-22-18(21)23-15-7-8-15;/h4-6,9-10,14-15H,7-8,11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyOLDLUAQRUQZWJY-UQKRIMTDSA-N
MW350.85 g/mol
LogP4.35
Rot. Bonds5

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

cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride (PubChem CID 171346761) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride.

Molecular Properties

Compound Namecyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride
PubChem CID171346761
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Namecyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride
SMILESCc1cccc([C@H](C)c2cn(COC(=O)OC3CC3)cn2)c1C.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-5-4-6-16(13(12)2)14(3)17-9-20(10-19-17)11-22-18(21)23-15-7-8-15;/h4-6,9-10,14-15H,7-8,11H2,1-3H3;1H/t14-;/m0./s1
InChIKeyOLDLUAQRUQZWJY-UQKRIMTDSA-N
XLogP4.35
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
The IUPAC name of cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride (CID 171346761) is cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride.
What is the SMILES notation for cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
The canonical SMILES for cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride is Cc1cccc([C@H](C)c2cn(COC(=O)OC3CC3)cn2)c1C.Cl.
What is the InChIKey of cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
The InChIKey is OLDLUAQRUQZWJY-UQKRIMTDSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-12-5-4-6-16(13(12)2)14(3)17-9-20(10-19-17)11-22-18(21)23-15-7-8-15;/h4-6,9-10,14-15H,7-8,11H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride?
cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl carbonate;hydrochloride is sourced from PubChem (CID 171346761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).