3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one

C19H26N4O2 — CID 127494531

IUPAC3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(14-23-17-9-5-4-8-16(17)20-19(23)25)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,25)
InChIKeyQMMLZSWBGONTDG-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.81
Rot. Bonds3

About 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one

3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one (PubChem CID 127494531) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
PubChem CID127494531
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(14-23-17-9-5-4-8-16(17)20-19(23)25)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,25)
InChIKeyQMMLZSWBGONTDG-UHFFFAOYSA-N
XLogP1.81
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 136521556
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 113195210
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
3-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 72838610
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-oxo-2-(3-piperazin-1-ylpiperidin-1-yl)ethyl]quinazoline-2,4-dione
CID 146092841

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one (CID 127494531) is 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one is O=C(Cn1c(=O)[nH]c2ccccc21)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one?
The InChIKey is QMMLZSWBGONTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(14-23-17-9-5-4-8-16(17)20-19(23)25)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,25).
What are the key properties of 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one?
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one has a molecular weight of 342.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 127494531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).