1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole

C16H11F3N4 — CID 58624632

IUPAC1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole
SMILESCn1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)nc2ccccc21
InChIInChI=1S/C16H11F3N4/c1-23-13-5-3-2-4-11(13)20-15(23)14-10-7-6-9(16(17,18)19)8-12(10)21-22-14/h2-8H,1H3,(H,21,22)
InChIKeyAHTOFELRESASEO-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.14
Rot. Bonds1

About 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole

1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole (PubChem CID 58624632) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole
PubChem CID58624632
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole
SMILESCn1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)nc2ccccc21
InChIInChI=1S/C16H11F3N4/c1-23-13-5-3-2-4-11(13)20-15(23)14-10-7-6-9(16(17,18)19)8-12(10)21-22-14/h2-8H,1H3,(H,21,22)
InChIKeyAHTOFELRESASEO-UHFFFAOYSA-N
XLogP4.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole (CID 58624632) is 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole is Cn1c(-c2n[nH]c3cc(C(F)(F)F)ccc23)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole?
The InChIKey is AHTOFELRESASEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4/c1-23-13-5-3-2-4-11(13)20-15(23)14-10-7-6-9(16(17,18)19)8-12(10)21-22-14/h2-8H,1H3,(H,21,22).
What are the key properties of 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole?
1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole has a molecular weight of 316.29 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole is sourced from PubChem (CID 58624632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).