(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

C24H27ClFN3O2 — CID 42246930

IUPAC(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3c(F)cccc3Cl)CC2)N1
InChIInChI=1S/C24H27ClFN3O2/c25-20-9-4-10-21(26)19(20)16-29-14-11-18(12-15-29)24(22(30)27-23(31)28-24)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2,(H2,27,28,30,31)/t24-/m0/s1
InChIKeyQVRJCGSBCQHANF-DEOSSOPVSA-N
MW443.95 g/mol
LogP4.29
Rot. Bonds7

About (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (PubChem CID 42246930) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
PubChem CID42246930
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Name(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3c(F)cccc3Cl)CC2)N1
InChIInChI=1S/C24H27ClFN3O2/c25-20-9-4-10-21(26)19(20)16-29-14-11-18(12-15-29)24(22(30)27-23(31)28-24)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2,(H2,27,28,30,31)/t24-/m0/s1
InChIKeyQVRJCGSBCQHANF-DEOSSOPVSA-N
XLogP4.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42274862
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(5S)-5-(3-phenylpropyl)-5-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42168111
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42170913
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
5-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45193668
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 2903396
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693
(5R)-5-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42381080
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (CID 42246930) is (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3c(F)cccc3Cl)CC2)N1.
What is the InChIKey of (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The InChIKey is QVRJCGSBCQHANF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c25-20-9-4-10-21(26)19(20)16-29-14-11-18(12-15-29)24(22(30)27-23(31)28-24)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18H,5,8,11-16H2,(H2,27,28,30,31)/t24-/m0/s1.
What are the key properties of (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione has a molecular weight of 443.95 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42246930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).