2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C20H20F2N4O2 — CID 31807297

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3cnc4cc(F)c(F)cc43)CC2)cc1
InChIInChI=1S/C20H20F2N4O2/c1-28-15-4-2-14(3-5-15)24-6-8-25(9-7-24)20(27)12-26-13-23-18-10-16(21)17(22)11-19(18)26/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyMWIBIHZVEBWRJF-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.67
Rot. Bonds4

About 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 31807297) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID31807297
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3cnc4cc(F)c(F)cc43)CC2)cc1
InChIInChI=1S/C20H20F2N4O2/c1-28-15-4-2-14(3-5-15)24-6-8-25(9-7-24)20(27)12-26-13-23-18-10-16(21)17(22)11-19(18)26/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyMWIBIHZVEBWRJF-UHFFFAOYSA-N
XLogP2.67
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 39334214
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
5,6-difluoro-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 112812727
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-(4-fluorophenyl)-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 46857566
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513124
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7257545
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
CID 100742188
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 31807297) is 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)Cn3cnc4cc(F)c(F)cc43)CC2)cc1.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is MWIBIHZVEBWRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-28-15-4-2-14(3-5-15)24-6-8-25(9-7-24)20(27)12-26-13-23-18-10-16(21)17(22)11-19(18)26/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 386.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 31807297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).