5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine

C10H9ClF3N3 — CID 14281418

IUPAC5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine
SMILESCc1nc2cc(C(F)(F)F)c(Cl)c(N)c2n1C
InChIInChI=1S/C10H9ClF3N3/c1-4-16-6-3-5(10(12,13)14)7(11)8(15)9(6)17(4)2/h3H,15H2,1-2H3
InChIKeyLPTNVQGXBDOXTA-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.14
Rot. Bonds

About 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine

5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine (PubChem CID 14281418) has the molecular formula C10H9ClF3N3 and a molecular weight of 263.65 g/mol. Its IUPAC name is 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine
PubChem CID14281418
Molecular FormulaC10H9ClF3N3
Molecular Weight263.65 g/mol
Exact Mass263.04
IUPAC Name5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine
SMILESCc1nc2cc(C(F)(F)F)c(Cl)c(N)c2n1C
InChIInChI=1S/C10H9ClF3N3/c1-4-16-6-3-5(10(12,13)14)7(11)8(15)9(6)17(4)2/h3H,15H2,1-2H3
InChIKeyLPTNVQGXBDOXTA-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine?
The IUPAC name of 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine (CID 14281418) is 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine.
What is the SMILES notation for 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine?
The canonical SMILES for 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine is Cc1nc2cc(C(F)(F)F)c(Cl)c(N)c2n1C.
What is the InChIKey of 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine?
The InChIKey is LPTNVQGXBDOXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3/c1-4-16-6-3-5(10(12,13)14)7(11)8(15)9(6)17(4)2/h3H,15H2,1-2H3.
What are the key properties of 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine?
5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine has a molecular weight of 263.65 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine is sourced from PubChem (CID 14281418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).