1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

C22H20N4O2 — CID 43981443

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N4O2/c27-20(16-13-23-17-6-2-1-5-15(16)17)22(28)26-11-9-14(10-12-26)21-24-18-7-3-4-8-19(18)25-21/h1-8,13-14,23H,9-12H2,(H,24,25)
InChIKeyYCUUEWYBHSRJPF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.63
Rot. Bonds3

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione (PubChem CID 43981443) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
PubChem CID43981443
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N4O2/c27-20(16-13-23-17-6-2-1-5-15(16)17)22(28)26-11-9-14(10-12-26)21-24-18-7-3-4-8-19(18)25-21/h1-8,13-14,23H,9-12H2,(H,24,25)
InChIKeyYCUUEWYBHSRJPF-UHFFFAOYSA-N
XLogP3.63
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 71827968
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 71828001
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 33118486
1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90558746
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 33116238
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
CID 12745505
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione (CID 43981443) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is YCUUEWYBHSRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-20(16-13-23-17-6-2-1-5-15(16)17)22(28)26-11-9-14(10-12-26)21-24-18-7-3-4-8-19(18)25-21/h1-8,13-14,23H,9-12H2,(H,24,25).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 372.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 43981443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).