2-methyl-5-(trifluoromethyl)-4H-benzimidazole

C9H7F3N2 — CID 162540790

IUPAC2-methyl-5-(trifluoromethyl)-4H-benzimidazole
SMILESCC1=NC2=CC=C(C(F)(F)F)CC2=N1
InChIInChI=1S/C9H7F3N2/c1-5-13-7-3-2-6(9(10,11)12)4-8(7)14-5/h2-3H,4H2,1H3
InChIKeyZFGNHSJYGGJHNC-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.64
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-4H-benzimidazole

2-methyl-5-(trifluoromethyl)-4H-benzimidazole (PubChem CID 162540790) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-4H-benzimidazole.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-4H-benzimidazole
PubChem CID162540790
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-methyl-5-(trifluoromethyl)-4H-benzimidazole
SMILESCC1=NC2=CC=C(C(F)(F)F)CC2=N1
InChIInChI=1S/C9H7F3N2/c1-5-13-7-3-2-6(9(10,11)12)4-8(7)14-5/h2-3H,4H2,1H3
InChIKeyZFGNHSJYGGJHNC-UHFFFAOYSA-N
XLogP2.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-4H-benzimidazole?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-4H-benzimidazole (CID 162540790) is 2-methyl-5-(trifluoromethyl)-4H-benzimidazole.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-4H-benzimidazole?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-4H-benzimidazole is CC1=NC2=CC=C(C(F)(F)F)CC2=N1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-4H-benzimidazole?
The InChIKey is ZFGNHSJYGGJHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-5-13-7-3-2-6(9(10,11)12)4-8(7)14-5/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-4H-benzimidazole?
2-methyl-5-(trifluoromethyl)-4H-benzimidazole has a molecular weight of 200.16 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-4H-benzimidazole is sourced from PubChem (CID 162540790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).