[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

C19H22FN5O — CID 56905261

IUPAC[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C19H22FN5O/c1-2-3-15-14(11-21-24-15)19(26)25-8-6-12(7-9-25)18-22-16-5-4-13(20)10-17(16)23-18/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGOVAUGOBHPBXEO-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds4

About [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone

[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (PubChem CID 56905261) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
PubChem CID56905261
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
SMILESCCCc1[nH]ncc1C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C19H22FN5O/c1-2-3-15-14(11-21-24-15)19(26)25-8-6-12(7-9-25)18-22-16-5-4-13(20)10-17(16)23-18/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGOVAUGOBHPBXEO-UHFFFAOYSA-N
XLogP3.40
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 70726537
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 166618672
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70745523
(2-bromophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756879
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
CID 172913026
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95891966
N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
CID 108756922
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone (CID 56905261) is [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is CCCc1[nH]ncc1C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
The InChIKey is GOVAUGOBHPBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-2-3-15-14(11-21-24-15)19(26)25-8-6-12(7-9-25)18-22-16-5-4-13(20)10-17(16)23-18/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone?
[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone has a molecular weight of 355.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 56905261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).