7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine

C9H6ClF4N3 — CID 54065745

IUPAC7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
SMILESCn1c(C(F)(F)F)nc2c(N)c(F)cc(Cl)c21
InChIInChI=1S/C9H6ClF4N3/c1-17-7-3(10)2-4(11)5(15)6(7)16-8(17)9(12,13)14/h2H,15H2,1H3
InChIKeyMCVDQIGIFAEZRS-UHFFFAOYSA-N
MW267.61 g/mol
LogP2.97
Rot. Bonds

About 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine

7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine (PubChem CID 54065745) has the molecular formula C9H6ClF4N3 and a molecular weight of 267.61 g/mol. Its IUPAC name is 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
PubChem CID54065745
Molecular FormulaC9H6ClF4N3
Molecular Weight267.61 g/mol
Exact Mass267.02
IUPAC Name7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
SMILESCn1c(C(F)(F)F)nc2c(N)c(F)cc(Cl)c21
InChIInChI=1S/C9H6ClF4N3/c1-17-7-3(10)2-4(11)5(15)6(7)16-8(17)9(12,13)14/h2H,15H2,1H3
InChIKeyMCVDQIGIFAEZRS-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.61
LogP ≤ 52.97
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 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The IUPAC name of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine (CID 54065745) is 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine.
What is the SMILES notation for 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The canonical SMILES for 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine is Cn1c(C(F)(F)F)nc2c(N)c(F)cc(Cl)c21.
What is the InChIKey of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
The InChIKey is MCVDQIGIFAEZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4N3/c1-17-7-3(10)2-4(11)5(15)6(7)16-8(17)9(12,13)14/h2H,15H2,1H3.
What are the key properties of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine?
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine has a molecular weight of 267.61 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine is sourced from PubChem (CID 54065745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).