2-(trifluoromethyl)-3H-benzimidazol-5-amine

C8H6F3N3 — CID 19345

IUPAC2-(trifluoromethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
InChIKeyCKEKFQLHCAZGSP-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.16
Rot. Bonds

About 2-(trifluoromethyl)-3H-benzimidazol-5-amine

2-(trifluoromethyl)-3H-benzimidazol-5-amine (PubChem CID 19345) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-3H-benzimidazol-5-amine
PubChem CID19345
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-(trifluoromethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
InChIKeyCKEKFQLHCAZGSP-UHFFFAOYSA-N
XLogP2.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(trifluoromethyl)-3H-benzimidazol-5-amine (CID 19345) is 2-(trifluoromethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(trifluoromethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(trifluoromethyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-(trifluoromethyl)-3H-benzimidazol-5-amine?
The InChIKey is CKEKFQLHCAZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14).
What are the key properties of 2-(trifluoromethyl)-3H-benzimidazol-5-amine?
2-(trifluoromethyl)-3H-benzimidazol-5-amine has a molecular weight of 201.15 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 19345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).