3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C20H21FN4O — CID 7692678

IUPAC3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O/c21-16-5-7-17(8-6-16)23-11-13-24(14-12-23)20(26)9-10-25-15-22-18-3-1-2-4-19(18)25/h1-8,15H,9-14H2
InChIKeyOCTONQBPBJOGAD-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.91
Rot. Bonds4

About 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 7692678) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID7692678
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCn1cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O/c21-16-5-7-17(8-6-16)23-11-13-24(14-12-23)20(26)9-10-25-15-22-18-3-1-2-4-19(18)25/h1-8,15H,9-14H2
InChIKeyOCTONQBPBJOGAD-UHFFFAOYSA-N
XLogP2.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 7692678) is 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCn1cnc2ccccc21)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is OCTONQBPBJOGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-16-5-7-17(8-6-16)23-11-13-24(14-12-23)20(26)9-10-25-15-22-18-3-1-2-4-19(18)25/h1-8,15H,9-14H2.
What are the key properties of 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 352.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 7692678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).