2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole

C19H12F6N4O — CID 88920304

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole
SMILESCn1nc(C(F)(F)F)cc1C1=NC2=CC(c3ccccc3OC(F)(F)F)=CCC2=N1
InChIInChI=1S/C19H12F6N4O/c1-29-14(9-16(28-29)18(20,21)22)17-26-12-7-6-10(8-13(12)27-17)11-4-2-3-5-15(11)30-19(23,24)25/h2-6,8-9H,7H2,1H3
InChIKeyAWBYNWSCZSMWLP-UHFFFAOYSA-N
MW426.32 g/mol
LogP4.91
Rot. Bonds3

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole (PubChem CID 88920304) has the molecular formula C19H12F6N4O and a molecular weight of 426.32 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole
PubChem CID88920304
Molecular FormulaC19H12F6N4O
Molecular Weight426.32 g/mol
Exact Mass426.09
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole
SMILESCn1nc(C(F)(F)F)cc1C1=NC2=CC(c3ccccc3OC(F)(F)F)=CCC2=N1
InChIInChI=1S/C19H12F6N4O/c1-29-14(9-16(28-29)18(20,21)22)17-26-12-7-6-10(8-13(12)27-17)11-4-2-3-5-15(11)30-19(23,24)25/h2-6,8-9H,7H2,1H3
InChIKeyAWBYNWSCZSMWLP-UHFFFAOYSA-N
XLogP4.91
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole (CID 88920304) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole is Cn1nc(C(F)(F)F)cc1C1=NC2=CC(c3ccccc3OC(F)(F)F)=CCC2=N1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole?
The InChIKey is AWBYNWSCZSMWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N4O/c1-29-14(9-16(28-29)18(20,21)22)17-26-12-7-6-10(8-13(12)27-17)11-4-2-3-5-15(11)30-19(23,24)25/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole has a molecular weight of 426.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-[2-(trifluoromethoxy)phenyl]-4H-benzimidazole is sourced from PubChem (CID 88920304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).