2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C21H23FN4O — CID 17466635

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O/c1-2-20-23-18-5-3-4-6-19(18)26(20)15-21(27)25-13-11-24(12-14-25)17-9-7-16(22)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyZGGXVOFVQCOGIE-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 17466635) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID17466635
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O/c1-2-20-23-18-5-3-4-6-19(18)26(20)15-21(27)25-13-11-24(12-14-25)17-9-7-16(22)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyZGGXVOFVQCOGIE-UHFFFAOYSA-N
XLogP3.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 17466635) is 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is CCc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ZGGXVOFVQCOGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-2-20-23-18-5-3-4-6-19(18)26(20)15-21(27)25-13-11-24(12-14-25)17-9-7-16(22)8-10-17/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 366.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17466635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).