1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine

C13H18FN3O2S — CID 62377585

IUPAC1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCn1c(C(N)CCS(C)(=O)=O)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3O2S/c1-3-17-12-8-9(14)4-5-11(12)16-13(17)10(15)6-7-20(2,18)19/h4-5,8,10H,3,6-7,15H2,1-2H3
InChIKeyFBXIRELUCWQYEW-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.63
Rot. Bonds5

About 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine

1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 62377585) has the molecular formula C13H18FN3O2S and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID62377585
Molecular FormulaC13H18FN3O2S
Molecular Weight299.37 g/mol
Exact Mass299.11
IUPAC Name1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCn1c(C(N)CCS(C)(=O)=O)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3O2S/c1-3-17-12-8-9(14)4-5-11(12)16-13(17)10(15)6-7-20(2,18)19/h4-5,8,10H,3,6-7,15H2,1-2H3
InChIKeyFBXIRELUCWQYEW-UHFFFAOYSA-N
XLogP1.63
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
CID 62377244
1-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 54919691
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 65220732
cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62377258
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
2-(chloromethyl)-6-fluoro-1-(2-methylsulfonylethyl)benzimidazole
CID 62377036
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 62376750
3-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539721
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 62944368
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
CID 63772335

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine (CID 62377585) is 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine is CCn1c(C(N)CCS(C)(=O)=O)nc2ccc(F)cc21.
What is the InChIKey of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is FBXIRELUCWQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2S/c1-3-17-12-8-9(14)4-5-11(12)16-13(17)10(15)6-7-20(2,18)19/h4-5,8,10H,3,6-7,15H2,1-2H3.
What are the key properties of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 299.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62377585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).