1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

C11H15N3S — CID 2771995

IUPAC1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKeyWWNOVKZOKFLYAF-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.32
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 2771995) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID2771995
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKeyWWNOVKZOKFLYAF-UHFFFAOYSA-N
XLogP2.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008936
[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008937
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 4878970
2-(1-amino-3-methylsulfanylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821204
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-phenylbutanamide
CID 2530693
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119855271
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2-ethoxyphenoxy)butanamide
CID 42908100

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (CID 2771995) is 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is WWNOVKZOKFLYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 2771995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).