1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine

C15H23N3O2S — CID 60784991

IUPAC1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCCn1c(C(N)CCS(C)(=O)=O)nc2cc(C)ccc21
InChIInChI=1S/C15H23N3O2S/c1-4-8-18-14-6-5-11(2)10-13(14)17-15(18)12(16)7-9-21(3,19)20/h5-6,10,12H,4,7-9,16H2,1-3H3
InChIKeyNYBOYBIHOYGLDL-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.19
Rot. Bonds6

About 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine

1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 60784991) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
PubChem CID60784991
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
SMILESCCCn1c(C(N)CCS(C)(=O)=O)nc2cc(C)ccc21
InChIInChI=1S/C15H23N3O2S/c1-4-8-18-14-6-5-11(2)10-13(14)17-15(18)12(16)7-9-21(3,19)20/h5-6,10,12H,4,7-9,16H2,1-3H3
InChIKeyNYBOYBIHOYGLDL-UHFFFAOYSA-N
XLogP2.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333098
1-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 54919691
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 62377585
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine (CID 60784991) is 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine is CCCn1c(C(N)CCS(C)(=O)=O)nc2cc(C)ccc21.
What is the InChIKey of 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is NYBOYBIHOYGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-8-18-14-6-5-11(2)10-13(14)17-15(18)12(16)7-9-21(3,19)20/h5-6,10,12H,4,7-9,16H2,1-3H3.
What are the key properties of 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine?
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 309.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 60784991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).