6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine

C13H8BrF3N4 — CID 114909040

IUPAC6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)cn3)nc12
InChIInChI=1S/C13H8BrF3N4/c14-7-3-8(18)11-10(4-7)20-12(21-11)9-2-1-6(5-19-9)13(15,16)17/h1-5H,18H2,(H,20,21)
InChIKeyFAYHZXFVHRAXHP-UHFFFAOYSA-N
MW357.13 g/mol
LogP3.99
Rot. Bonds1

About 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine

6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine (PubChem CID 114909040) has the molecular formula C13H8BrF3N4 and a molecular weight of 357.13 g/mol. Its IUPAC name is 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
PubChem CID114909040
Molecular FormulaC13H8BrF3N4
Molecular Weight357.13 g/mol
Exact Mass355.99
IUPAC Name6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)cn3)nc12
InChIInChI=1S/C13H8BrF3N4/c14-7-3-8(18)11-10(4-7)20-12(21-11)9-2-1-6(5-19-9)13(15,16)17/h1-5H,18H2,(H,20,21)
InChIKeyFAYHZXFVHRAXHP-UHFFFAOYSA-N
XLogP3.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
5,6-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909125
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
2-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridine
CID 114909106
5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-amine
CID 114908388
6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
CID 107953916
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-amine
CID 114909132
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine
CID 107962405
6-[5-(trifluoromethyl)-2-pyridinyl]-1H-indole-2-carboxylic acid
CID 168510073
2-methyl-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazole-3-thione
CID 114909096

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine?
The IUPAC name of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine (CID 114909040) is 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine?
The canonical SMILES for 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine is Nc1cc(Br)cc2[nH]c(-c3ccc(C(F)(F)F)cn3)nc12.
What is the InChIKey of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine?
The InChIKey is FAYHZXFVHRAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N4/c14-7-3-8(18)11-10(4-7)20-12(21-11)9-2-1-6(5-19-9)13(15,16)17/h1-5H,18H2,(H,20,21).
What are the key properties of 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine?
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine has a molecular weight of 357.13 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine is sourced from PubChem (CID 114909040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).