(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione

C25H25N5O5 — CID 51829666

IUPAC(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H25N5O5/c31-22(29-9-7-16(8-10-29)23-26-17-3-1-2-4-18(17)27-23)12-19-24(32)30(25(33)28-19)13-15-5-6-20-21(11-15)35-14-34-20/h1-6,11,16,19H,7-10,12-14H2,(H,26,27)(H,28,33)/t19-/m1/s1
InChIKeyJUWCGXBARLXSNC-LJQANCHMSA-N
MW475.51 g/mol
LogP2.51
Rot. Bonds5

About (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione

(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione (PubChem CID 51829666) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
PubChem CID51829666
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H25N5O5/c31-22(29-9-7-16(8-10-29)23-26-17-3-1-2-4-18(17)27-23)12-19-24(32)30(25(33)28-19)13-15-5-6-20-21(11-15)35-14-34-20/h1-6,11,16,19H,7-10,12-14H2,(H,26,27)(H,28,33)/t19-/m1/s1
InChIKeyJUWCGXBARLXSNC-LJQANCHMSA-N
XLogP2.51
TPSA116.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 38202881
ethyl 1-[2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]piperidine-4-carboxylate
CID 29140144
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 75492465
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]imidazolidine-2,4-dione
CID 171157828
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 39349369
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210277
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 94093377
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51841514
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 51842263
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione (CID 51829666) is (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione is O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is JUWCGXBARLXSNC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H25N5O5/c31-22(29-9-7-16(8-10-29)23-26-17-3-1-2-4-18(17)27-23)12-19-24(32)30(25(33)28-19)13-15-5-6-20-21(11-15)35-14-34-20/h1-6,11,16,19H,7-10,12-14H2,(H,26,27)(H,28,33)/t19-/m1/s1.
What are the key properties of (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 475.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(1,3-benzodioxol-5-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51829666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).