[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

C22H20FN5O — CID 47881764

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H20FN5O/c23-16-6-3-7-17(13-16)28-12-10-20(26-28)22(29)27-11-4-5-15(14-27)21-24-18-8-1-2-9-19(18)25-21/h1-3,6-10,12-13,15H,4-5,11,14H2,(H,24,25)
InChIKeyGRJYJKMFXMNJMB-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.91
Rot. Bonds3

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 47881764) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID47881764
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H20FN5O/c23-16-6-3-7-17(13-16)28-12-10-20(26-28)22(29)27-11-4-5-15(14-27)21-24-18-8-1-2-9-19(18)25-21/h1-3,6-10,12-13,15H,4-5,11,14H2,(H,24,25)
InChIKeyGRJYJKMFXMNJMB-UHFFFAOYSA-N
XLogP3.91
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 55639183
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 40791033

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (CID 47881764) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is O=C(c1ccn(-c2cccc(F)c2)n1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is GRJYJKMFXMNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-16-6-3-7-17(13-16)28-12-10-20(26-28)22(29)27-11-4-5-15(14-27)21-24-18-8-1-2-9-19(18)25-21/h1-3,6-10,12-13,15H,4-5,11,14H2,(H,24,25).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 389.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 47881764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).