N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine

C12H8BrF2N3S — CID 22139859

IUPACN-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine
SMILESCc1csc(Br)c1Nc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C12H8BrF2N3S/c1-5-4-19-11(13)10(5)18-12-16-8-2-6(14)7(15)3-9(8)17-12/h2-4H,1H3,(H2,16,17,18)
InChIKeyRBWZTXLQXSPJQL-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.72
Rot. Bonds2

About N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine

N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine (PubChem CID 22139859) has the molecular formula C12H8BrF2N3S and a molecular weight of 344.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine
PubChem CID22139859
Molecular FormulaC12H8BrF2N3S
Molecular Weight344.18 g/mol
Exact Mass342.96
IUPAC NameN-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine
SMILESCc1csc(Br)c1Nc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C12H8BrF2N3S/c1-5-4-19-11(13)10(5)18-12-16-8-2-6(14)7(15)3-9(8)17-12/h2-4H,1H3,(H2,16,17,18)
InChIKeyRBWZTXLQXSPJQL-UHFFFAOYSA-N
XLogP4.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine (CID 22139859) is N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine is Cc1csc(Br)c1Nc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine?
The InChIKey is RBWZTXLQXSPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N3S/c1-5-4-19-11(13)10(5)18-12-16-8-2-6(14)7(15)3-9(8)17-12/h2-4H,1H3,(H2,16,17,18).
What are the key properties of N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine?
N-(2-bromo-4-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine has a molecular weight of 344.18 g/mol, XLogP of 4.72, 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-methylthiophen-3-yl)-5,6-difluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 22139859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).