1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone

C25H24FN5O — CID 134126856

IUPAC1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccccn4)n(Cc4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C25H24FN5O/c1-18(32)29-12-14-30(15-13-29)21-9-10-22-24(16-21)31(17-19-5-7-20(26)8-6-19)25(28-22)23-4-2-3-11-27-23/h2-11,16H,12-15,17H2,1H3
InChIKeyJULYHTQRBKROBT-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone

1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 134126856) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone
PubChem CID134126856
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc3nc(-c4ccccn4)n(Cc4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C25H24FN5O/c1-18(32)29-12-14-30(15-13-29)21-9-10-22-24(16-21)31(17-19-5-7-20(26)8-6-19)25(28-22)23-4-2-3-11-27-23/h2-11,16H,12-15,17H2,1H3
InChIKeyJULYHTQRBKROBT-UHFFFAOYSA-N
XLogP3.95
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline
CID 134126847
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328952
[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]-phenylmethanone;hydrate
CID 110168643
[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
1-[4-[(4-fluorophenyl)methylamino]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70780138
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384
1-[4-[2-(4-fluoro-2-methylphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169411618
6-[1-benzyl-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N,3-dimethylimidazo[1,2-a]pyrazin-8-amine
CID 161457946
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
[1-[(4-fluorophenyl)methyl]-2,3-dimethylindol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20940239

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone (CID 134126856) is 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc3nc(-c4ccccn4)n(Cc4ccc(F)cc4)c3c2)CC1.
What is the InChIKey of 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone?
The InChIKey is JULYHTQRBKROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-18(32)29-12-14-30(15-13-29)21-9-10-22-24(16-21)31(17-19-5-7-20(26)8-6-19)25(28-22)23-4-2-3-11-27-23/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone has a molecular weight of 429.50 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(4-fluorophenyl)methyl]-2-pyridin-2-ylbenzimidazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134126856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).