[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone

C22H20ClN5O — CID 55497025

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H20ClN5O/c23-16-9-7-14(8-10-16)20-17(12-24-27-20)22(29)28-11-3-4-15(13-28)21-25-18-5-1-2-6-19(18)26-21/h1-2,5-10,12,15H,3-4,11,13H2,(H,24,27)(H,25,26)
InChIKeyKYSFVJGZMPMUMU-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.63
Rot. Bonds3

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 55497025) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
PubChem CID55497025
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H20ClN5O/c23-16-9-7-14(8-10-16)20-17(12-24-27-20)22(29)28-11-3-4-15(13-28)21-25-18-5-1-2-6-19(18)26-21/h1-2,5-10,12,15H,3-4,11,13H2,(H,24,27)(H,25,26)
InChIKeyKYSFVJGZMPMUMU-UHFFFAOYSA-N
XLogP4.63
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 55497026
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
CID 55790773
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone (CID 55497025) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is KYSFVJGZMPMUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-16-9-7-14(8-10-16)20-17(12-24-27-20)22(29)28-11-3-4-15(13-28)21-25-18-5-1-2-6-19(18)26-21/h1-2,5-10,12,15H,3-4,11,13H2,(H,24,27)(H,25,26).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 405.89 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 55497025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).