3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile

C21H20N4O3 — CID 166183691

IUPAC3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1cccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1
InChIInChI=1S/C21H20N4O3/c22-13-15-4-3-5-17(12-15)28-14-20(26)24-10-8-16(9-11-24)25-19-7-2-1-6-18(19)23-21(25)27/h1-7,12,16H,8-11,14H2,(H,23,27)
InChIKeyXXCVSOCULHBQKX-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.44
Rot. Bonds4

About 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile

3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile (PubChem CID 166183691) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile
PubChem CID166183691
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1cccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1
InChIInChI=1S/C21H20N4O3/c22-13-15-4-3-5-17(12-15)28-14-20(26)24-10-8-16(9-11-24)25-19-7-2-1-6-18(19)23-21(25)27/h1-7,12,16H,8-11,14H2,(H,23,27)
InChIKeyXXCVSOCULHBQKX-UHFFFAOYSA-N
XLogP2.44
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile
CID 51245670
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
formic acid;3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 171678507
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782
tert-butyl 4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 18509724
3-[benzyl-[(3-phenylmethoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67178096
3-[2-oxo-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 139021300

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile (CID 166183691) is 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile is N#Cc1cccc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1.
What is the InChIKey of 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile?
The InChIKey is XXCVSOCULHBQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-13-15-4-3-5-17(12-15)28-14-20(26)24-10-8-16(9-11-24)25-19-7-2-1-6-18(19)23-21(25)27/h1-7,12,16H,8-11,14H2,(H,23,27).
What are the key properties of 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile?
3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile has a molecular weight of 376.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 166183691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).