1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one

C22H26N4O3 — CID 10693965

IUPAC1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESO=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)N1CCN(CCO)CC1
InChIInChI=1S/C22H26N4O3/c27-15-14-23-10-12-24(13-11-23)21(28)17-26-20-9-5-4-8-19(20)25(22(26)29)16-18-6-2-1-3-7-18/h1-9,27H,10-17H2
InChIKeyCMFJKBRLYKORNL-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.99
Rot. Bonds6

About 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one

1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one (PubChem CID 10693965) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
PubChem CID10693965
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
SMILESO=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)N1CCN(CCO)CC1
InChIInChI=1S/C22H26N4O3/c27-15-14-23-10-12-24(13-11-23)21(28)17-26-20-9-5-4-8-19(20)25(22(26)29)16-18-6-2-1-3-7-18/h1-9,27H,10-17H2
InChIKeyCMFJKBRLYKORNL-UHFFFAOYSA-N
XLogP0.99
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-propylsulfonylbenzimidazol-2-one
CID 42793010
1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
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1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(2-phenylethylsulfanyl)ethanone
CID 43415653
4-benzyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,2,4-triazol-3-one
CID 70718408
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
1-(4-benzhydrylpiperazin-1-yl)-2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanone
CID 22930629
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 30470000
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazol-2-one
CID 42792778

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one (CID 10693965) is 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one is O=C(Cn1c(=O)n(Cc2ccccc2)c2ccccc21)N1CCN(CCO)CC1.
What is the InChIKey of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
The InChIKey is CMFJKBRLYKORNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-15-14-23-10-12-24(13-11-23)21(28)17-26-20-9-5-4-8-19(20)25(22(26)29)16-18-6-2-1-3-7-18/h1-9,27H,10-17H2.
What are the key properties of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one?
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one has a molecular weight of 394.48 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 10693965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).