6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine

C9H8F3N3 — CID 130051716

IUPAC6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCc1cc(C(F)(F)F)c2nc(N)[nH]c2c1
InChIInChI=1S/C9H8F3N3/c1-4-2-5(9(10,11)12)7-6(3-4)14-8(13)15-7/h2-3H,1H3,(H3,13,14,15)
InChIKeyMMBJNLPVKIRXOR-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.47
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine

6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 130051716) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID130051716
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCc1cc(C(F)(F)F)c2nc(N)[nH]c2c1
InChIInChI=1S/C9H8F3N3/c1-4-2-5(9(10,11)12)7-6(3-4)14-8(13)15-7/h2-3H,1H3,(H3,13,14,15)
InChIKeyMMBJNLPVKIRXOR-UHFFFAOYSA-N
XLogP2.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 130051716) is 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine is Cc1cc(C(F)(F)F)c2nc(N)[nH]c2c1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is MMBJNLPVKIRXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-4-2-5(9(10,11)12)7-6(3-4)14-8(13)15-7/h2-3H,1H3,(H3,13,14,15).
What are the key properties of 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine?
6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 215.18 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 130051716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).