2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole

C24H17F3N4O — CID 122189103

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C24H17F3N4O/c1-32-18-10-7-15(8-11-18)22-19(14-31(30-22)17-5-3-2-4-6-17)23-28-20-12-9-16(24(25,26)27)13-21(20)29-23/h2-14H,1H3,(H,28,29)
InChIKeyWZSGHNZXPIDMPP-UHFFFAOYSA-N
MW434.42 g/mol
LogP6.11
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 122189103) has the molecular formula C24H17F3N4O and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID122189103
Molecular FormulaC24H17F3N4O
Molecular Weight434.42 g/mol
Exact Mass434.14
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C24H17F3N4O/c1-32-18-10-7-15(8-11-18)22-19(14-31(30-22)17-5-3-2-4-6-17)23-28-20-12-9-16(24(25,26)27)13-21(20)29-23/h2-14H,1H3,(H,28,29)
InChIKeyWZSGHNZXPIDMPP-UHFFFAOYSA-N
XLogP6.11
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 122189103) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is WZSGHNZXPIDMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O/c1-32-18-10-7-15(8-11-18)22-19(14-31(30-22)17-5-3-2-4-6-17)23-28-20-12-9-16(24(25,26)27)13-21(20)29-23/h2-14H,1H3,(H,28,29).
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 434.42 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 122189103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).