1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine

C12H17N3S — CID 116831645

IUPAC1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H17N3S/c1-13-10(5-6-16-2)9-3-4-11-12(7-9)15-8-14-11/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyAMTLYLAZXCINGT-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.58
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine

1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 116831645) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID116831645
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H17N3S/c1-13-10(5-6-16-2)9-3-4-11-12(7-9)15-8-14-11/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyAMTLYLAZXCINGT-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
6-pentan-3-yl-1H-benzimidazole
CID 134401277
4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
CID 116952117
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
CID 116910664
CID 157410638
CID 157410638

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 116831645) is 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is AMTLYLAZXCINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-13-10(5-6-16-2)9-3-4-11-12(7-9)15-8-14-11/h3-4,7-8,10,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 116831645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).