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

C8H6ClF3N3- — CID 53347635

IUPAC2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
SMILESNc1ccc2nc(C(F)(F)F)[nH]c2c1.[Cl-]
InChIInChI=1S/C8H6F3N3.ClH/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7;/h1-3H,12H2,(H,13,14);1H/p-1
InChIKeyCELIWBMVPASHHG-UHFFFAOYSA-M
MW236.60 g/mol
LogP-0.83
Rot. Bonds

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

2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride (PubChem CID 53347635) has the molecular formula C8H6ClF3N3- and a molecular weight of 236.60 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
PubChem CID53347635
Molecular FormulaC8H6ClF3N3-
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
SMILESNc1ccc2nc(C(F)(F)F)[nH]c2c1.[Cl-]
InChIInChI=1S/C8H6F3N3.ClH/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7;/h1-3H,12H2,(H,13,14);1H/p-1
InChIKeyCELIWBMVPASHHG-UHFFFAOYSA-M
XLogP-0.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 5-0.83
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 chloride?
The IUPAC name of 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride (CID 53347635) is 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride.
What is the SMILES notation for 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride?
The canonical SMILES for 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride is Nc1ccc2nc(C(F)(F)F)[nH]c2c1.[Cl-].
What is the InChIKey of 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride?
The InChIKey is CELIWBMVPASHHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F3N3.ClH/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7;/h1-3H,12H2,(H,13,14);1H/p-1.
What are the key properties of 2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride?
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride has a molecular weight of 236.60 g/mol, XLogP of -0.83, 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 chloride is sourced from PubChem (CID 53347635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).