6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine

C13H7ClF3N3 — CID 115470604

IUPAC6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1-c1cc(F)cc(F)c1F
InChIInChI=1S/C13H7ClF3N3/c14-6-1-2-9-10(3-6)20(13(18)19-9)11-5-7(15)4-8(16)12(11)17/h1-5H,(H2,18,19)
InChIKeyJZFRWDWPOWPHLV-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.68
Rot. Bonds1

About 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine

6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine (PubChem CID 115470604) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
PubChem CID115470604
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1-c1cc(F)cc(F)c1F
InChIInChI=1S/C13H7ClF3N3/c14-6-1-2-9-10(3-6)20(13(18)19-9)11-5-7(15)4-8(16)12(11)17/h1-5H,(H2,18,19)
InChIKeyJZFRWDWPOWPHLV-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
5-methoxy-3-(2,3,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 115322381
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
CID 115471671

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine (CID 115470604) is 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1-c1cc(F)cc(F)c1F.
What is the InChIKey of 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine?
The InChIKey is JZFRWDWPOWPHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-6-1-2-9-10(3-6)20(13(18)19-9)11-5-7(15)4-8(16)12(11)17/h1-5H,(H2,18,19).
What are the key properties of 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine?
6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine has a molecular weight of 297.67 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 115470604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).