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

C12H9BrFN3S — CID 10358993

IUPACN-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCc1csc(Br)c1Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H9BrFN3S/c1-6-5-18-11(13)10(6)17-12-15-8-3-2-7(14)4-9(8)16-12/h2-5H,1H3,(H2,15,16,17)
InChIKeyHPDCPNVGZZXIOG-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.58
Rot. Bonds2

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

N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 10358993) has the molecular formula C12H9BrFN3S and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine
PubChem CID10358993
Molecular FormulaC12H9BrFN3S
Molecular Weight326.19 g/mol
Exact Mass324.97
IUPAC NameN-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine
SMILESCc1csc(Br)c1Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H9BrFN3S/c1-6-5-18-11(13)10(6)17-12-15-8-3-2-7(14)4-9(8)16-12/h2-5H,1H3,(H2,15,16,17)
InChIKeyHPDCPNVGZZXIOG-UHFFFAOYSA-N
XLogP4.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.58
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-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine (CID 10358993) is N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine is Cc1csc(Br)c1Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is HPDCPNVGZZXIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3S/c1-6-5-18-11(13)10(6)17-12-15-8-3-2-7(14)4-9(8)16-12/h2-5H,1H3,(H2,15,16,17).
What are the key properties of N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine?
N-(2-bromo-4-methylthiophen-3-yl)-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 326.19 g/mol, XLogP of 4.58, 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)-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 10358993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).