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

C9H7ClF3N3 — CID 14281417

IUPAC5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine
SMILESCc1nc2c(N)c(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C9H7ClF3N3/c1-3-15-5-2-4(9(11,12)13)6(10)7(14)8(5)16-3/h2H,14H2,1H3,(H,15,16)
InChIKeyHPEMZRTXUTYESI-UHFFFAOYSA-N
MW249.62 g/mol
LogP3.13
Rot. Bonds

About 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine

5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine (PubChem CID 14281417) has the molecular formula C9H7ClF3N3 and a molecular weight of 249.62 g/mol. Its IUPAC name is 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine
PubChem CID14281417
Molecular FormulaC9H7ClF3N3
Molecular Weight249.62 g/mol
Exact Mass249.03
IUPAC Name5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine
SMILESCc1nc2c(N)c(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C9H7ClF3N3/c1-3-15-5-2-4(9(11,12)13)6(10)7(14)8(5)16-3/h2H,14H2,1H3,(H,15,16)
InChIKeyHPEMZRTXUTYESI-UHFFFAOYSA-N
XLogP3.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 53.13
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 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine?
The IUPAC name of 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine (CID 14281417) is 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine is Cc1nc2c(N)c(Cl)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine?
The InChIKey is HPEMZRTXUTYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3/c1-3-15-5-2-4(9(11,12)13)6(10)7(14)8(5)16-3/h2H,14H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine?
5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine has a molecular weight of 249.62 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 14281417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).