6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

C18H15FN4O — CID 44548465

IUPAC6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESFCCOc1cccc(-c2cc(-c3ccc4nc[nH]c4c3)[nH]n2)c1
InChIInChI=1S/C18H15FN4O/c19-6-7-24-14-3-1-2-12(8-14)16-10-17(23-22-16)13-4-5-15-18(9-13)21-11-20-15/h1-5,8-11H,6-7H2,(H,20,21)(H,22,23)
InChIKeyLSBZMHWSUXIPAV-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.97
Rot. Bonds5

About 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 44548465) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID44548465
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESFCCOc1cccc(-c2cc(-c3ccc4nc[nH]c4c3)[nH]n2)c1
InChIInChI=1S/C18H15FN4O/c19-6-7-24-14-3-1-2-12(8-14)16-10-17(23-22-16)13-4-5-15-18(9-13)21-11-20-15/h1-5,8-11H,6-7H2,(H,20,21)(H,22,23)
InChIKeyLSBZMHWSUXIPAV-UHFFFAOYSA-N
XLogP3.97
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (CID 44548465) is 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is FCCOc1cccc(-c2cc(-c3ccc4nc[nH]c4c3)[nH]n2)c1.
What is the InChIKey of 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is LSBZMHWSUXIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-6-7-24-14-3-1-2-12(8-14)16-10-17(23-22-16)13-4-5-15-18(9-13)21-11-20-15/h1-5,8-11H,6-7H2,(H,20,21)(H,22,23).
What are the key properties of 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 322.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 44548465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).