2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone

C20H21FN4O — CID 110643384

IUPAC2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1nc2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C20H21FN4O/c1-14-22-18-7-6-17(13-19(18)23-14)24-8-10-25(11-9-24)20(26)12-15-2-4-16(21)5-3-15/h2-7,13H,8-12H2,1H3,(H,22,23)
InChIKeyDFADTXYVQIFFQN-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.90
Rot. Bonds3

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

2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 110643384) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
PubChem CID110643384
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
SMILESCc1nc2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C20H21FN4O/c1-14-22-18-7-6-17(13-19(18)23-14)24-8-10-25(11-9-24)20(26)12-15-2-4-16(21)5-3-15/h2-7,13H,8-12H2,1H3,(H,22,23)
InChIKeyDFADTXYVQIFFQN-UHFFFAOYSA-N
XLogP2.90
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
2-(4-chlorophenoxy)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643390
1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110643422
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 56744296
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
2-(4-fluorophenyl)-1-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 50944561

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone (CID 110643384) is 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone is Cc1nc2ccc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc2[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is DFADTXYVQIFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-22-18-7-6-17(13-19(18)23-14)24-8-10-25(11-9-24)20(26)12-15-2-4-16(21)5-3-15/h2-7,13H,8-12H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 352.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110643384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).