5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole

C22H19FN4O — CID 23145575

IUPAC5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole
SMILESFc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2)cc1
InChIInChI=1S/C22H19FN4O/c23-14-6-8-15(9-7-14)28-21-13-20-19(12-16(21)17-5-3-11-24-17)26-22(27-20)18-4-1-2-10-25-18/h1-2,4,6-10,12-13,17,24H,3,5,11H2,(H,26,27)
InChIKeyZQQZKKTVLQYQNH-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.98
Rot. Bonds4

About 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole

5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole (PubChem CID 23145575) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole
PubChem CID23145575
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole
SMILESFc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2)cc1
InChIInChI=1S/C22H19FN4O/c23-14-6-8-15(9-7-14)28-21-13-20-19(12-16(21)17-5-3-11-24-17)26-22(27-20)18-4-1-2-10-25-18/h1-2,4,6-10,12-13,17,24H,3,5,11H2,(H,26,27)
InChIKeyZQQZKKTVLQYQNH-UHFFFAOYSA-N
XLogP4.98
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole?
The IUPAC name of 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole (CID 23145575) is 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole?
The canonical SMILES for 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole is Fc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2)cc1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole?
The InChIKey is ZQQZKKTVLQYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-14-6-8-15(9-7-14)28-21-13-20-19(12-16(21)17-5-3-11-24-17)26-22(27-20)18-4-1-2-10-25-18/h1-2,4,6-10,12-13,17,24H,3,5,11H2,(H,26,27).
What are the key properties of 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole?
5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole has a molecular weight of 374.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-pyridin-2-yl-6-pyrrolidin-2-yl-1H-benzimidazole is sourced from PubChem (CID 23145575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).