[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

C20H21FN4O — CID 120740593

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cc(F)cc3[nH]cnc23)cc1
InChIInChI=1S/C20H21FN4O/c1-2-13-3-5-14(6-4-13)18-11-22-7-8-25(18)20(26)16-9-15(21)10-17-19(16)24-12-23-17/h3-6,9-10,12,18,22H,2,7-8,11H2,1H3,(H,23,24)
InChIKeyWMQHYVHUXIOYCN-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.05
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (PubChem CID 120740593) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
PubChem CID120740593
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cc(F)cc3[nH]cnc23)cc1
InChIInChI=1S/C20H21FN4O/c1-2-13-3-5-14(6-4-13)18-11-22-7-8-25(18)20(26)16-9-15(21)10-17-19(16)24-12-23-17/h3-6,9-10,12,18,22H,2,7-8,11H2,1H3,(H,23,24)
InChIKeyWMQHYVHUXIOYCN-UHFFFAOYSA-N
XLogP3.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120741559
[2-(4-ethylphenyl)piperazin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120740755
[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 139002837
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
1,3-benzodioxol-4-yl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120740907
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 120741434
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 120740709
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (CID 120740593) is [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is CCc1ccc(C2CNCCN2C(=O)c2cc(F)cc3[nH]cnc23)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The InChIKey is WMQHYVHUXIOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-2-13-3-5-14(6-4-13)18-11-22-7-8-25(18)20(26)16-9-15(21)10-17-19(16)24-12-23-17/h3-6,9-10,12,18,22H,2,7-8,11H2,1H3,(H,23,24).
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone has a molecular weight of 352.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 120740593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).