1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

C15H21N3S — CID 82333037

IUPAC1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESC=CCn1c(C(N)CCSC)nc2cc(C)ccc21
InChIInChI=1S/C15H21N3S/c1-4-8-18-14-6-5-11(2)10-13(14)17-15(18)12(16)7-9-19-3/h4-6,10,12H,1,7-9,16H2,2-3H3
InChIKeyURIPWNOGFTUGGD-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.28
Rot. Bonds6

About 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 82333037) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID82333037
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESC=CCn1c(C(N)CCSC)nc2cc(C)ccc21
InChIInChI=1S/C15H21N3S/c1-4-8-18-14-6-5-11(2)10-13(14)17-15(18)12(16)7-9-19-3/h4-6,10,12H,1,7-9,16H2,2-3H3
InChIKeyURIPWNOGFTUGGD-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54919733
1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
CID 82334391
1-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82332151
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82332923
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
2-(1-chloroethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63958886
2-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43670376
1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
CID 71755974
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
1-(5,6-dimethyl-1-prop-2-enylbenzimidazol-2-yl)ethanamine
CID 82024893

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (CID 82333037) is 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is C=CCn1c(C(N)CCSC)nc2cc(C)ccc21.
What is the InChIKey of 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is URIPWNOGFTUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-8-18-14-6-5-11(2)10-13(14)17-15(18)12(16)7-9-19-3/h4-6,10,12H,1,7-9,16H2,2-3H3.
What are the key properties of 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 82333037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).