N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine

C11H6BrClFN3S — CID 22139814

IUPACN-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(Nc3c(Cl)csc3Br)[nH]c2c1
InChIInChI=1S/C11H6BrClFN3S/c12-10-9(6(13)4-18-10)17-11-15-7-2-1-5(14)3-8(7)16-11/h1-4H,(H2,15,16,17)
InChIKeyORQWILVTOYEADF-UHFFFAOYSA-N
MW346.61 g/mol
LogP4.92
Rot. Bonds2

About N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine

N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 22139814) has the molecular formula C11H6BrClFN3S and a molecular weight of 346.61 g/mol. Its IUPAC name is N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine
PubChem CID22139814
Molecular FormulaC11H6BrClFN3S
Molecular Weight346.61 g/mol
Exact Mass344.91
IUPAC NameN-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(Nc3c(Cl)csc3Br)[nH]c2c1
InChIInChI=1S/C11H6BrClFN3S/c12-10-9(6(13)4-18-10)17-11-15-7-2-1-5(14)3-8(7)16-11/h1-4H,(H2,15,16,17)
InChIKeyORQWILVTOYEADF-UHFFFAOYSA-N
XLogP4.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine (CID 22139814) is N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine is Fc1ccc2nc(Nc3c(Cl)csc3Br)[nH]c2c1.
What is the InChIKey of N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is ORQWILVTOYEADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFN3S/c12-10-9(6(13)4-18-10)17-11-15-7-2-1-5(14)3-8(7)16-11/h1-4H,(H2,15,16,17).
What are the key properties of N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 346.61 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorothiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 22139814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).