[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

C18H17FN4O — CID 44783356

IUPAC[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCNC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17FN4O/c19-13-7-5-12(6-8-13)18(24)23-10-9-20-16(11-23)17-21-14-3-1-2-4-15(14)22-17/h1-8,16,20H,9-11H2,(H,21,22)
InChIKeyHXFRNSLIWHUODV-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.49
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 44783356) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID44783356
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCNC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17FN4O/c19-13-7-5-12(6-8-13)18(24)23-10-9-20-16(11-23)17-21-14-3-1-2-4-15(14)22-17/h1-8,16,20H,9-11H2,(H,21,22)
InChIKeyHXFRNSLIWHUODV-UHFFFAOYSA-N
XLogP2.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 44783356) is [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCNC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is HXFRNSLIWHUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-13-7-5-12(6-8-13)18(24)23-10-9-20-16(11-23)17-21-14-3-1-2-4-15(14)22-17/h1-8,16,20H,9-11H2,(H,21,22).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 324.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 44783356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).