(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one

C13H17N3O — CID 171252661

IUPAC(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(N3CCCC3)cc2)N1
InChIInChI=1S/C13H17N3O/c17-13-14-9-12(15-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,12H,1-2,7-9H2,(H2,14,15,17)/t12-/m0/s1
InChIKeyIXNKBLDRVWQONR-LBPRGKRZSA-N
MW231.30 g/mol
LogP1.64
Rot. Bonds2

About (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one

(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one (PubChem CID 171252661) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
PubChem CID171252661
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(N3CCCC3)cc2)N1
InChIInChI=1S/C13H17N3O/c17-13-14-9-12(15-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,12H,1-2,7-9H2,(H2,14,15,17)/t12-/m0/s1
InChIKeyIXNKBLDRVWQONR-LBPRGKRZSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(4-pyrrolidin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596915
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
CID 130976022
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 113296281
4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365564
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one (CID 171252661) is (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one is O=C1NC[C@@H](c2ccc(N3CCCC3)cc2)N1.
What is the InChIKey of (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
The InChIKey is IXNKBLDRVWQONR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13-14-9-12(15-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,12H,1-2,7-9H2,(H2,14,15,17)/t12-/m0/s1.
What are the key properties of (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one?
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one is sourced from PubChem (CID 171252661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).