2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

C19H26N2O2 — CID 56672425

IUPAC2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCc1nccn1CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)13-17-5-7-18(8-6-17)15(3)19(22)23-12-11-21-10-9-20-16(21)4/h5-10,14-15H,11-13H2,1-4H3/t15-/m0/s1
InChIKeyIXRASVBXXOUPCW-HNNXBMFYSA-N
MW314.43 g/mol
LogP3.74
Rot. Bonds7

About 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 56672425) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID56672425
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCc1nccn1CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)13-17-5-7-18(8-6-17)15(3)19(22)23-12-11-21-10-9-20-16(21)4/h5-10,14-15H,11-13H2,1-4H3/t15-/m0/s1
InChIKeyIXRASVBXXOUPCW-HNNXBMFYSA-N
XLogP3.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 56672425) is 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate is Cc1nccn1CCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is IXRASVBXXOUPCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)13-17-5-7-18(8-6-17)15(3)19(22)23-12-11-21-10-9-20-16(21)4/h5-10,14-15H,11-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate?
2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 314.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)ethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 56672425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).