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

C21H20N6O — CID 91820880

IUPAC[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N6O/c28-21(18-12-17(25-26-18)14-6-5-10-22-13-14)27-11-4-3-9-19(27)20-23-15-7-1-2-8-16(15)24-20/h1-2,5-8,10,12-13,19H,3-4,9,11H2,(H,23,24)(H,25,26)
InChIKeySCTYHTQKSSIBGQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.72
Rot. Bonds3

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

[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 91820880) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID91820880
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N6O/c28-21(18-12-17(25-26-18)14-6-5-10-22-13-14)27-11-4-3-9-19(27)20-23-15-7-1-2-8-16(15)24-20/h1-2,5-8,10,12-13,19H,3-4,9,11H2,(H,23,24)(H,25,26)
InChIKeySCTYHTQKSSIBGQ-UHFFFAOYSA-N
XLogP3.72
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 91820880) is [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is SCTYHTQKSSIBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(18-12-17(25-26-18)14-6-5-10-22-13-14)27-11-4-3-9-19(27)20-23-15-7-1-2-8-16(15)24-20/h1-2,5-8,10,12-13,19H,3-4,9,11H2,(H,23,24)(H,25,26).
What are the key properties of [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91820880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).