1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one

C19H22FN5O — CID 70779196

IUPAC1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESO=C(CCCn1cccn1)N1CCCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H22FN5O/c20-14-7-8-15-16(13-14)23-19(22-15)17-5-1-2-12-25(17)18(26)6-3-10-24-11-4-9-21-24/h4,7-9,11,13,17H,1-3,5-6,10,12H2,(H,22,23)
InChIKeyVGESHJDGLDXFFX-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one

1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 70779196) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID70779196
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESO=C(CCCn1cccn1)N1CCCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H22FN5O/c20-14-7-8-15-16(13-14)23-19(22-15)17-5-1-2-12-25(17)18(26)6-3-10-24-11-4-9-21-24/h4,7-9,11,13,17H,1-3,5-6,10,12H2,(H,22,23)
InChIKeyVGESHJDGLDXFFX-UHFFFAOYSA-N
XLogP3.43
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95868023
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
3-[2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95872803
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 99945467
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70710800
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70850795
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95872711
5-[2-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95861367
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42097087
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
1-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 95896480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one (CID 70779196) is 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one is O=C(CCCn1cccn1)N1CCCCC1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is VGESHJDGLDXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-14-7-8-15-16(13-14)23-19(22-15)17-5-1-2-12-25(17)18(26)6-3-10-24-11-4-9-21-24/h4,7-9,11,13,17H,1-3,5-6,10,12H2,(H,22,23).
What are the key properties of 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 355.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 70779196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).