N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine

C12H8Br2FN3S — CID 23575383

IUPACN-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine
SMILESCc1c(Br)sc(Br)c1Nc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H8Br2FN3S/c1-5-8(11(14)19-10(5)13)17-12-16-7-4-2-3-6(15)9(7)18-12/h2-4H,1H3,(H2,16,17,18)
InChIKeyQVIINMWQGNCXMC-UHFFFAOYSA-N
MW405.09 g/mol
LogP5.34
Rot. Bonds2

About N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine

N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine (PubChem CID 23575383) has the molecular formula C12H8Br2FN3S and a molecular weight of 405.09 g/mol. Its IUPAC name is N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine
PubChem CID23575383
Molecular FormulaC12H8Br2FN3S
Molecular Weight405.09 g/mol
Exact Mass402.88
IUPAC NameN-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine
SMILESCc1c(Br)sc(Br)c1Nc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H8Br2FN3S/c1-5-8(11(14)19-10(5)13)17-12-16-7-4-2-3-6(15)9(7)18-12/h2-4H,1H3,(H2,16,17,18)
InChIKeyQVIINMWQGNCXMC-UHFFFAOYSA-N
XLogP5.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.09
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine (CID 23575383) is N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine is Cc1c(Br)sc(Br)c1Nc1nc2c(F)cccc2[nH]1.
What is the InChIKey of N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine?
The InChIKey is QVIINMWQGNCXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FN3S/c1-5-8(11(14)19-10(5)13)17-12-16-7-4-2-3-6(15)9(7)18-12/h2-4H,1H3,(H2,16,17,18).
What are the key properties of N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine?
N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine has a molecular weight of 405.09 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromo-4-methylthiophen-3-yl)-4-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 23575383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).