[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate

C19H26N2O2 — CID 68677889

IUPAC[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
SMILESCc1cccc([C@@H](C)c2nccn2COC(=O)C(C)(C)C)c1C
InChIInChI=1S/C19H26N2O2/c1-13-8-7-9-16(14(13)2)15(3)17-20-10-11-21(17)12-23-18(22)19(4,5)6/h7-11,15H,12H2,1-6H3/t15-/m1/s1
InChIKeyZXKQUEBGDVKHLD-OAHLLOKOSA-N
MW314.43 g/mol
LogP4.20
Rot. Bonds4

About [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate

[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 68677889) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
PubChem CID68677889
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
SMILESCc1cccc([C@@H](C)c2nccn2COC(=O)C(C)(C)C)c1C
InChIInChI=1S/C19H26N2O2/c1-13-8-7-9-16(14(13)2)15(3)17-20-10-11-21(17)12-23-18(22)19(4,5)6/h7-11,15H,12H2,1-6H3/t15-/m1/s1
InChIKeyZXKQUEBGDVKHLD-OAHLLOKOSA-N
XLogP4.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate (CID 68677889) is [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate is Cc1cccc([C@@H](C)c2nccn2COC(=O)C(C)(C)C)c1C.
What is the InChIKey of [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is ZXKQUEBGDVKHLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-8-7-9-16(14(13)2)15(3)17-20-10-11-21(17)12-23-18(22)19(4,5)6/h7-11,15H,12H2,1-6H3/t15-/m1/s1.
What are the key properties of [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate?
[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 314.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 68677889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).