2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole

C17H11F3N4 — CID 141252366

IUPAC2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(-c2ccc3nc(-n4cccn4)[nH]c3c2)c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-4-1-3-11(9-13)12-5-6-14-15(10-12)23-16(22-14)24-8-2-7-21-24/h1-10H,(H,22,23)
InChIKeyLCXIAWYATWVQDK-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.43
Rot. Bonds2

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

2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 141252366) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID141252366
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(-c2ccc3nc(-n4cccn4)[nH]c3c2)c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-4-1-3-11(9-13)12-5-6-14-15(10-12)23-16(22-14)24-8-2-7-21-24/h1-10H,(H,22,23)
InChIKeyLCXIAWYATWVQDK-UHFFFAOYSA-N
XLogP4.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-one
CID 154207023
2-imidazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 73011048
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660
5-(4-fluorophenoxy)-2-pyrazol-1-yl-6-(trifluoromethyl)-1H-benzimidazole
CID 141443536
5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252349
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 134284036
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 67133332

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 141252366) is 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole is FC(F)(F)c1cccc(-c2ccc3nc(-n4cccn4)[nH]c3c2)c1.
What is the InChIKey of 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is LCXIAWYATWVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)13-4-1-3-11(9-13)12-5-6-14-15(10-12)23-16(22-14)24-8-2-7-21-24/h1-10H,(H,22,23).
What are the key properties of 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 328.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 141252366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).