3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C28H27N5O3 — CID 154860165

IUPAC3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O
InChIInChI=1S/C28H27N5O3/c1-28(21-11-10-18-6-2-3-7-20(18)16-21)26(35)33(27(36)31-28)17-24(34)32-14-12-19(13-15-32)25-29-22-8-4-5-9-23(22)30-25/h2-11,16,19H,12-15,17H2,1H3,(H,29,30)(H,31,36)
InChIKeyLBJLUFBAQIHHLQ-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.89
Rot. Bonds4

About 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 154860165) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID154860165
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O
InChIInChI=1S/C28H27N5O3/c1-28(21-11-10-18-6-2-3-7-20(18)16-21)26(35)33(27(36)31-28)17-24(34)32-14-12-19(13-15-32)25-29-22-8-4-5-9-23(22)30-25/h2-11,16,19H,12-15,17H2,1H3,(H,29,30)(H,31,36)
InChIKeyLBJLUFBAQIHHLQ-UHFFFAOYSA-N
XLogP3.89
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 154834533
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 154833101
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55342804
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-2-ylacetamide
CID 166210015
ethyl N-[1-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-3-yl]carbamate
CID 167747837
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
4-(1H-benzimidazol-2-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]piperidine-1-carboxamide
CID 154833713

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 154860165) is 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is LBJLUFBAQIHHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-28(21-11-10-18-6-2-3-7-20(18)16-21)26(35)33(27(36)31-28)17-24(34)32-14-12-19(13-15-32)25-29-22-8-4-5-9-23(22)30-25/h2-11,16,19H,12-15,17H2,1H3,(H,29,30)(H,31,36).
What are the key properties of 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 481.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 154860165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).