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

C20H19FN4O2 — CID 110802316

IUPAC2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2nc[nH]c2c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-4-2-1-3-15(16)20(27)25-9-7-24(8-10-25)19(26)12-14-5-6-17-18(11-14)23-13-22-17/h1-6,11,13H,7-10,12H2,(H,22,23)
InChIKeyVNHJMDJZSKVSMK-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.23
Rot. Bonds3

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

2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 110802316) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
PubChem CID110802316
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2nc[nH]c2c1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-4-2-1-3-15(16)20(27)25-9-7-24(8-10-25)19(26)12-14-5-6-17-18(11-14)23-13-22-17/h1-6,11,13H,7-10,12H2,(H,22,23)
InChIKeyVNHJMDJZSKVSMK-UHFFFAOYSA-N
XLogP2.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814290
methyl 4-[2-(3H-benzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803448
methyl 4-[4-[2-(3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801390
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 99612260
3H-benzimidazol-5-yl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 99200972
2-(4-bromophenyl)-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 78849849
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110802313
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
2-(4-aminophenyl)-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119710397
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110816410
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone (CID 110802316) is 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone is O=C(Cc1ccc2nc[nH]c2c1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is VNHJMDJZSKVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-4-2-1-3-15(16)20(27)25-9-7-24(8-10-25)19(26)12-14-5-6-17-18(11-14)23-13-22-17/h1-6,11,13H,7-10,12H2,(H,22,23).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone?
2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110802316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).