3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one

C18H23N3O — CID 124616194

IUPAC3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
SMILESCc1nccn1C[C@H]1CCCN1CCC(=O)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-15-19-10-13-21(15)14-17-8-5-11-20(17)12-9-18(22)16-6-3-2-4-7-16/h2-4,6-7,10,13,17H,5,8-9,11-12,14H2,1H3/t17-/m1/s1
InChIKeyVRIKBHQGLZJQFN-QGZVFWFLSA-N
MW297.40 g/mol
LogP2.93
Rot. Bonds6

About 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one

3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one (PubChem CID 124616194) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
PubChem CID124616194
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
SMILESCc1nccn1C[C@H]1CCCN1CCC(=O)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-15-19-10-13-21(15)14-17-8-5-11-20(17)12-9-18(22)16-6-3-2-4-7-16/h2-4,6-7,10,13,17H,5,8-9,11-12,14H2,1H3/t17-/m1/s1
InChIKeyVRIKBHQGLZJQFN-QGZVFWFLSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one (CID 124616194) is 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one is Cc1nccn1C[C@H]1CCCN1CCC(=O)c1ccccc1.
What is the InChIKey of 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one?
The InChIKey is VRIKBHQGLZJQFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-19-10-13-21(15)14-17-8-5-11-20(17)12-9-18(22)16-6-3-2-4-7-16/h2-4,6-7,10,13,17H,5,8-9,11-12,14H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one?
3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 124616194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).