2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine

C13H19N3S — CID 84617059

IUPAC2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine
SMILESCc1cc2nc(SC(C)CN)n(C)c2cc1C
InChIInChI=1S/C13H19N3S/c1-8-5-11-12(6-9(8)2)16(4)13(15-11)17-10(3)7-14/h5-6,10H,7,14H2,1-4H3
InChIKeyVYCKFRILBRGGPY-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.63
Rot. Bonds3

About 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine

2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine (PubChem CID 84617059) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine
PubChem CID84617059
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine
SMILESCc1cc2nc(SC(C)CN)n(C)c2cc1C
InChIInChI=1S/C13H19N3S/c1-8-5-11-12(6-9(8)2)16(4)13(15-11)17-10(3)7-14/h5-6,10H,7,14H2,1-4H3
InChIKeyVYCKFRILBRGGPY-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropanethioamide
CID 84617075
N,N-di(propan-2-yl)-2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylacetamide
CID 171443105
1,5,6-trimethylbenzimidazol-2-amine;hydrochloride
CID 72710310
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
5-chloro-1-methyl-2-propan-2-ylsulfanylbenzimidazole
CID 52644652
2-(2-chloroethyl)-1,5,6-trimethylbenzimidazole
CID 100587289
N,1,3,6,7-pentamethylquinoxalin-2-imine
CID 142206053
2-(5-fluoro-1,6-dimethylbenzimidazol-2-yl)sulfanylacetic acid
CID 103592548
1-(5,6-dimethyl-2-propylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 4092386
1-(5,6-dimethoxy-1-methylbenzimidazol-2-yl)sulfanylbutan-2-amine
CID 84617088
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260

Frequently Asked Questions

What is the IUPAC name of 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine?
The IUPAC name of 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine (CID 84617059) is 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine is Cc1cc2nc(SC(C)CN)n(C)c2cc1C.
What is the InChIKey of 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine?
The InChIKey is VYCKFRILBRGGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-8-5-11-12(6-9(8)2)16(4)13(15-11)17-10(3)7-14/h5-6,10H,7,14H2,1-4H3.
What are the key properties of 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine?
2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,6-trimethylbenzimidazol-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 84617059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).