5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione

About 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione

5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 45174056) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name	5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID	45174056
Molecular Formula	C27H29N5O3
Molecular Weight	471.56 g/mol
Exact Mass	471.23
IUPAC Name	5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione
SMILES	CC1(C2CCN(C(=O)Cn3cnc4ccccc43)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O
InChI	InChI=1S/C27H29N5O3/c1-27(25(34)32(26(35)29-27)21-14-18-6-2-3-7-19(18)15-21)20-10-12-30(13-11-20)24(33)16-31-17-28-22-8-4-5-9-23(22)31/h2-9,17,20-21H,10-16H2,1H3,(H,29,35)
InChIKey	YKRHPTPTNFTKLX-UHFFFAOYSA-N
XLogP	2.75
TPSA	87.54 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione (CID 45174056) is 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione is CC1(C2CCN(C(=O)Cn3cnc4ccccc43)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O.

What is the InChIKey of 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione?

The InChIKey is YKRHPTPTNFTKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-27(25(34)32(26(35)29-27)21-14-18-6-2-3-7-19(18)15-21)20-10-12-30(13-11-20)24(33)16-31-17-28-22-8-4-5-9-23(22)31/h2-9,17,20-21H,10-16H2,1H3,(H,29,35).

What are the key properties of 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione?

5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 471.56 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45174056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).