6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole

C16H12N4O — CID 90031928

IUPAC6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole
SMILESc1cc(-c2ccc(Oc3ccc4nc[nH]c4c3)cc2)[nH]n1
InChIInChI=1S/C16H12N4O/c1-3-12(4-2-11(1)14-7-8-19-20-14)21-13-5-6-15-16(9-13)18-10-17-15/h1-10H,(H,17,18)(H,19,20)
InChIKeyARHKSOWNNCESFM-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.75
Rot. Bonds3

About 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole

6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole (PubChem CID 90031928) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole.

Molecular Properties

Compound Name6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole
PubChem CID90031928
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole
SMILESc1cc(-c2ccc(Oc3ccc4nc[nH]c4c3)cc2)[nH]n1
InChIInChI=1S/C16H12N4O/c1-3-12(4-2-11(1)14-7-8-19-20-14)21-13-5-6-15-16(9-13)18-10-17-15/h1-10H,(H,17,18)(H,19,20)
InChIKeyARHKSOWNNCESFM-UHFFFAOYSA-N
XLogP3.75
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole?
The IUPAC name of 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole (CID 90031928) is 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole.
What is the SMILES notation for 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole?
The canonical SMILES for 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole is c1cc(-c2ccc(Oc3ccc4nc[nH]c4c3)cc2)[nH]n1.
What is the InChIKey of 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole?
The InChIKey is ARHKSOWNNCESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-3-12(4-2-11(1)14-7-8-19-20-14)21-13-5-6-15-16(9-13)18-10-17-15/h1-10H,(H,17,18)(H,19,20).
What are the key properties of 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole?
6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole has a molecular weight of 276.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazole is sourced from PubChem (CID 90031928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).