1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

C13H13BrN4S — CID 66379806

IUPAC1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc3cc(Br)ccc3n2C)cs1
InChIInChI=1S/C13H13BrN4S/c1-7(15)13-17-10(6-19-13)12-16-9-5-8(14)3-4-11(9)18(12)2/h3-7H,15H2,1-2H3
InChIKeyQGJIRZKESPCDAX-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.48
Rot. Bonds2

About 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66379806) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66379806
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc3cc(Br)ccc3n2C)cs1
InChIInChI=1S/C13H13BrN4S/c1-7(15)13-17-10(6-19-13)12-16-9-5-8(14)3-4-11(9)18(12)2/h3-7H,15H2,1-2H3
InChIKeyQGJIRZKESPCDAX-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 66379806) is 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc3cc(Br)ccc3n2C)cs1.
What is the InChIKey of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QGJIRZKESPCDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c1-7(15)13-17-10(6-19-13)12-16-9-5-8(14)3-4-11(9)18(12)2/h3-7H,15H2,1-2H3.
What are the key properties of 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 337.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66379806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).