1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one

C22H27N3O — CID 50955366

IUPAC1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CC(Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1
InChIInChI=1S/C22H27N3O/c26-20-12-16(14-25(20)19-8-4-5-9-19)13-24-15-23-21(22(24)18-10-11-18)17-6-2-1-3-7-17/h1-3,6-7,15-16,18-19H,4-5,8-14H2
InChIKeyQSNVGDRHOGQRBR-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.22
Rot. Bonds5

About 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one

1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one (PubChem CID 50955366) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one
PubChem CID50955366
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CC(Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1
InChIInChI=1S/C22H27N3O/c26-20-12-16(14-25(20)19-8-4-5-9-19)13-24-15-23-21(22(24)18-10-11-18)17-6-2-1-3-7-17/h1-3,6-7,15-16,18-19H,4-5,8-14H2
InChIKeyQSNVGDRHOGQRBR-UHFFFAOYSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one (CID 50955366) is 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one is O=C1CC(Cn2cnc(-c3ccccc3)c2C2CC2)CN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is QSNVGDRHOGQRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-20-12-16(14-25(20)19-8-4-5-9-19)13-24-15-23-21(22(24)18-10-11-18)17-6-2-1-3-7-17/h1-3,6-7,15-16,18-19H,4-5,8-14H2.
What are the key properties of 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one?
1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 349.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(5-cyclopropyl-4-phenylimidazol-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 50955366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).