2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate

C18H24N2O2 — CID 56675810

IUPAC2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)OCCn2ccnc2)cc1
InChIInChI=1S/C18H24N2O2/c1-14(2)12-16-4-6-17(7-5-16)15(3)18(21)22-11-10-20-9-8-19-13-20/h4-9,13-15H,10-12H2,1-3H3/t15-/m1/s1
InChIKeyYXJZKBQTONIJAN-OAHLLOKOSA-N
MW300.40 g/mol
LogP3.43
Rot. Bonds7

About 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate

2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 56675810) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID56675810
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)OCCn2ccnc2)cc1
InChIInChI=1S/C18H24N2O2/c1-14(2)12-16-4-6-17(7-5-16)15(3)18(21)22-11-10-20-9-8-19-13-20/h4-9,13-15H,10-12H2,1-3H3/t15-/m1/s1
InChIKeyYXJZKBQTONIJAN-OAHLLOKOSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate (CID 56675810) is 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc([C@@H](C)C(=O)OCCn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is YXJZKBQTONIJAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)12-16-4-6-17(7-5-16)15(3)18(21)22-11-10-20-9-8-19-13-20/h4-9,13-15H,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate?
2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 56675810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).