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

C23H18N4O2 — CID 71235383

IUPAC6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole
SMILESc1cc(-c2ccc(Oc3ccc(OCc4ccc5nc[nH]c5c4)cc3)cc2)[nH]n1
InChIInChI=1S/C23H18N4O2/c1-10-22-23(25-15-24-22)13-16(1)14-28-18-6-8-20(9-7-18)29-19-4-2-17(3-5-19)21-11-12-26-27-21/h1-13,15H,14H2,(H,24,25)(H,26,27)
InChIKeyJTEJEPLPAHZIKP-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.32
Rot. Bonds6

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

6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole (PubChem CID 71235383) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole
PubChem CID71235383
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole
SMILESc1cc(-c2ccc(Oc3ccc(OCc4ccc5nc[nH]c5c4)cc3)cc2)[nH]n1
InChIInChI=1S/C23H18N4O2/c1-10-22-23(25-15-24-22)13-16(1)14-28-18-6-8-20(9-7-18)29-19-4-2-17(3-5-19)21-11-12-26-27-21/h1-13,15H,14H2,(H,24,25)(H,26,27)
InChIKeyJTEJEPLPAHZIKP-UHFFFAOYSA-N
XLogP5.32
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole?
The IUPAC name of 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole (CID 71235383) is 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole.
What is the SMILES notation for 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole?
The canonical SMILES for 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole is c1cc(-c2ccc(Oc3ccc(OCc4ccc5nc[nH]c5c4)cc3)cc2)[nH]n1.
What is the InChIKey of 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole?
The InChIKey is JTEJEPLPAHZIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-10-22-23(25-15-24-22)13-16(1)14-28-18-6-8-20(9-7-18)29-19-4-2-17(3-5-19)21-11-12-26-27-21/h1-13,15H,14H2,(H,24,25)(H,26,27).
What are the key properties of 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole?
6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole has a molecular weight of 382.42 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(1H-pyrazol-5-yl)phenoxy]phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 71235383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).