2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile

C21H20FN5O — CID 38618108

IUPAC2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H20FN5O/c22-16-4-3-7-19(15(16)14-23)26-10-12-27(13-11-26)21(28)9-8-20-24-17-5-1-2-6-18(17)25-20/h1-7H,8-13H2,(H,24,25)
InChIKeyGEYWZQGEYDAVCZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile

2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile (PubChem CID 38618108) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile
PubChem CID38618108
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H20FN5O/c22-16-4-3-7-19(15(16)14-23)26-10-12-27(13-11-26)21(28)9-8-20-24-17-5-1-2-6-18(17)25-20/h1-7H,8-13H2,(H,24,25)
InChIKeyGEYWZQGEYDAVCZ-UHFFFAOYSA-N
XLogP2.86
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
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3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
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2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
CID 95233026
3-(1H-benzimidazol-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
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6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
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4-[4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 178142640
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
2-fluoro-6-[4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]benzonitrile
CID 91661012
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile (CID 38618108) is 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile?
The InChIKey is GEYWZQGEYDAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-16-4-3-7-19(15(16)14-23)26-10-12-27(13-11-26)21(28)9-8-20-24-17-5-1-2-6-18(17)25-20/h1-7H,8-13H2,(H,24,25).
What are the key properties of 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile?
2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile has a molecular weight of 377.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 38618108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).