5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione

C24H32ClN3O2 — CID 45212407

IUPAC5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC(C)=CCN1CCC(C2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1
InChIInChI=1S/C24H32ClN3O2/c1-17(2)9-12-27-13-10-20(11-14-27)24(15-19-5-3-4-6-21(19)25)22(29)28(23(30)26-24)16-18-7-8-18/h3-6,9,18,20H,7-8,10-16H2,1-2H3,(H,26,30)
InChIKeyMZQTYYPHDGMUOZ-UHFFFAOYSA-N
MW429.99 g/mol
LogP4.26
Rot. Bonds7

About 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione

5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45212407) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45212407
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC(C)=CCN1CCC(C2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1
InChIInChI=1S/C24H32ClN3O2/c1-17(2)9-12-27-13-10-20(11-14-27)24(15-19-5-3-4-6-21(19)25)22(29)28(23(30)26-24)16-18-7-8-18/h3-6,9,18,20H,7-8,10-16H2,1-2H3,(H,26,30)
InChIKeyMZQTYYPHDGMUOZ-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45193861
(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42466806
5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
CID 45172810
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 74803749
5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45184206
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652
(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42468381
5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56854186
(5R)-5-[(2-fluorophenyl)methyl]-3-(oxan-4-ylmethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95215901
5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 45196872
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085211

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45212407) is 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione is CC(C)=CCN1CCC(C2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is MZQTYYPHDGMUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-17(2)9-12-27-13-10-20(11-14-27)24(15-19-5-3-4-6-21(19)25)22(29)28(23(30)26-24)16-18-7-8-18/h3-6,9,18,20H,7-8,10-16H2,1-2H3,(H,26,30).
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 429.99 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45212407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).