6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine

C11H7Br2N3S — CID 107962405

IUPAC6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(-c3csc(Br)c3)nc12
InChIInChI=1S/C11H7Br2N3S/c12-6-2-7(14)10-8(3-6)15-11(16-10)5-1-9(13)17-4-5/h1-4H,14H2,(H,15,16)
InChIKeyJGYMHRBOODHSBE-UHFFFAOYSA-N
MW373.07 g/mol
LogP4.40
Rot. Bonds1

About 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine

6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine (PubChem CID 107962405) has the molecular formula C11H7Br2N3S and a molecular weight of 373.07 g/mol. Its IUPAC name is 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine
PubChem CID107962405
Molecular FormulaC11H7Br2N3S
Molecular Weight373.07 g/mol
Exact Mass370.87
IUPAC Name6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(-c3csc(Br)c3)nc12
InChIInChI=1S/C11H7Br2N3S/c12-6-2-7(14)10-8(3-6)15-11(16-10)5-1-9(13)17-4-5/h1-4H,14H2,(H,15,16)
InChIKeyJGYMHRBOODHSBE-UHFFFAOYSA-N
XLogP4.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.07
LogP ≤ 54.40
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-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
CID 107953916
2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
CID 103859014
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 104574178
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine
CID 103163852
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
CID 91686527

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine?
The IUPAC name of 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine (CID 107962405) is 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine?
The canonical SMILES for 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine is Nc1cc(Br)cc2[nH]c(-c3csc(Br)c3)nc12.
What is the InChIKey of 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine?
The InChIKey is JGYMHRBOODHSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3S/c12-6-2-7(14)10-8(3-6)15-11(16-10)5-1-9(13)17-4-5/h1-4H,14H2,(H,15,16).
What are the key properties of 6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine?
6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine has a molecular weight of 373.07 g/mol, XLogP of 4.40, 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-bromothiophen-3-yl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 107962405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).