1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

C14H20FN3S — CID 60784384

IUPAC1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H20FN3S/c1-9(2)18-13-5-4-10(15)8-12(13)17-14(18)11(16)6-7-19-3/h4-5,8-9,11H,6-7,16H2,1-3H3
InChIKeyMRDLFULATUUHMW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.51
Rot. Bonds5

About 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 60784384) has the molecular formula C14H20FN3S and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID60784384
Molecular FormulaC14H20FN3S
Molecular Weight281.40 g/mol
Exact Mass281.14
IUPAC Name1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H20FN3S/c1-9(2)18-13-5-4-10(15)8-12(13)17-14(18)11(16)6-7-19-3/h4-5,8-9,11H,6-7,16H2,1-3H3
InChIKeyMRDLFULATUUHMW-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-1-propan-2-ylbenzimidazol-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

Related Compounds

1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54919733
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
1-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82332151
1-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62377080
1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920295
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82334028
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
1-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 54919691
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82333037
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 79148766
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (CID 60784384) is 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nc2cc(F)ccc2n1C(C)C.
What is the InChIKey of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is MRDLFULATUUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3S/c1-9(2)18-13-5-4-10(15)8-12(13)17-14(18)11(16)6-7-19-3/h4-5,8-9,11H,6-7,16H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 60784384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).