4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one

C17H25N3O — CID 146038204

IUPAC4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(Cn2ccnc2C2CCCCC2)CN1C1CC1
InChIInChI=1S/C17H25N3O/c21-16-10-13(12-20(16)15-6-7-15)11-19-9-8-18-17(19)14-4-2-1-3-5-14/h8-9,13-15H,1-7,10-12H2
InChIKeyDPSRDXILLYJQGB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds4

About 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one

4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 146038204) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID146038204
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C1CC(Cn2ccnc2C2CCCCC2)CN1C1CC1
InChIInChI=1S/C17H25N3O/c21-16-10-13(12-20(16)15-6-7-15)11-19-9-8-18-17(19)14-4-2-1-3-5-14/h8-9,13-15H,1-7,10-12H2
InChIKeyDPSRDXILLYJQGB-UHFFFAOYSA-N
XLogP2.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one (CID 146038204) is 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one is O=C1CC(Cn2ccnc2C2CCCCC2)CN1C1CC1.
What is the InChIKey of 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is DPSRDXILLYJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-16-10-13(12-20(16)15-6-7-15)11-19-9-8-18-17(19)14-4-2-1-3-5-14/h8-9,13-15H,1-7,10-12H2.
What are the key properties of 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one?
4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylimidazol-1-yl)methyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 146038204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).