2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole

C23H17FN4O — CID 122189082

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C23H17FN4O/c1-29-18-11-12-20-21(13-18)26-23(25-20)19-14-28(17-5-3-2-4-6-17)27-22(19)15-7-9-16(24)10-8-15/h2-14H,1H3,(H,25,26)
InChIKeyVAXAKUKZSGDEPG-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.23
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole (PubChem CID 122189082) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole
PubChem CID122189082
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C23H17FN4O/c1-29-18-11-12-20-21(13-18)26-23(25-20)19-14-28(17-5-3-2-4-6-17)27-22(19)15-7-9-16(24)10-8-15/h2-14H,1H3,(H,25,26)
InChIKeyVAXAKUKZSGDEPG-UHFFFAOYSA-N
XLogP5.23
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole (CID 122189082) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole?
The InChIKey is VAXAKUKZSGDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c1-29-18-11-12-20-21(13-18)26-23(25-20)19-14-28(17-5-3-2-4-6-17)27-22(19)15-7-9-16(24)10-8-15/h2-14H,1H3,(H,25,26).
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole has a molecular weight of 384.41 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 122189082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).