1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine

C12H15N3S — CID 107783602

IUPAC1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ncc[nH]2)cc1
InChIInChI=1S/C12H15N3S/c1-9(13)8-10-2-4-11(5-3-10)16-12-14-6-7-15-12/h2-7,9H,8,13H2,1H3,(H,14,15)
InChIKeyWIMNYKNCRAOMMF-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.45
Rot. Bonds4

About 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine

1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine (PubChem CID 107783602) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
PubChem CID107783602
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ncc[nH]2)cc1
InChIInChI=1S/C12H15N3S/c1-9(13)8-10-2-4-11(5-3-10)16-12-14-6-7-15-12/h2-7,9H,8,13H2,1H3,(H,14,15)
InChIKeyWIMNYKNCRAOMMF-UHFFFAOYSA-N
XLogP2.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
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(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 107783424
4-(1H-imidazol-2-ylsulfanyl)benzene-1,2-diamine
CID 21482783
4-(1H-imidazol-2-ylsulfanyl)benzaldehyde
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CID 107779352
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114001168
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 55240847
1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 63819294
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine
CID 63819331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine (CID 107783602) is 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine is CC(N)Cc1ccc(Sc2ncc[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine?
The InChIKey is WIMNYKNCRAOMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(13)8-10-2-4-11(5-3-10)16-12-14-6-7-15-12/h2-7,9H,8,13H2,1H3,(H,14,15).
What are the key properties of 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine?
1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine is sourced from PubChem (CID 107783602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).