[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C21H24N6O — CID 75100277

IUPAC[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CC(Cn2cnc3ccccc32)NN1)N1CCCC1c1ccccn1
InChIInChI=1S/C21H24N6O/c28-21(27-11-5-9-20(27)17-7-3-4-10-22-17)18-12-15(24-25-18)13-26-14-23-16-6-1-2-8-19(16)26/h1-4,6-8,10,14-15,18,20,24-25H,5,9,11-13H2
InChIKeyCTQDQBQOPMHPID-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.03
Rot. Bonds4

About [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 75100277) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID75100277
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CC(Cn2cnc3ccccc32)NN1)N1CCCC1c1ccccn1
InChIInChI=1S/C21H24N6O/c28-21(27-11-5-9-20(27)17-7-3-4-10-22-17)18-12-15(24-25-18)13-26-14-23-16-6-1-2-8-19(16)26/h1-4,6-8,10,14-15,18,20,24-25H,5,9,11-13H2
InChIKeyCTQDQBQOPMHPID-UHFFFAOYSA-N
XLogP2.03
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 75100277) is [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(C1CC(Cn2cnc3ccccc32)NN1)N1CCCC1c1ccccn1.
What is the InChIKey of [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is CTQDQBQOPMHPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(27-11-5-9-20(27)17-7-3-4-10-22-17)18-12-15(24-25-18)13-26-14-23-16-6-1-2-8-19(16)26/h1-4,6-8,10,14-15,18,20,24-25H,5,9,11-13H2.
What are the key properties of [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
[5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzimidazol-1-ylmethyl)pyrazolidin-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 75100277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).