1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

C14H18BrN3S — CID 54920295

IUPAC1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H18BrN3S/c1-19-7-6-11(16)14-17-12-8-9(15)2-5-13(12)18(14)10-3-4-10/h2,5,8,10-11H,3-4,6-7,16H2,1H3
InChIKeyWSQNRUUTHGYTFF-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.89
Rot. Bonds5

About 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 54920295) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID54920295
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C14H18BrN3S/c1-19-7-6-11(16)14-17-12-8-9(15)2-5-13(12)18(14)10-3-4-10/h2,5,8,10-11H,3-4,6-7,16H2,1H3
InChIKeyWSQNRUUTHGYTFF-UHFFFAOYSA-N
XLogP3.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-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 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (CID 54920295) is 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is WSQNRUUTHGYTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-19-7-6-11(16)14-17-12-8-9(15)2-5-13(12)18(14)10-3-4-10/h2,5,8,10-11H,3-4,6-7,16H2,1H3.
What are the key properties of 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 340.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 54920295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).