5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine

C16H23N3S — CID 116504978

IUPAC5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine
SMILESCCSCCc1nc(-c2ccccc2)n(C(C)C)c1N
InChIInChI=1S/C16H23N3S/c1-4-20-11-10-14-15(17)19(12(2)3)16(18-14)13-8-6-5-7-9-13/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyLTECWMXWFOVNNE-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.01
Rot. Bonds6

About 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine

5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine (PubChem CID 116504978) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine
PubChem CID116504978
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine
SMILESCCSCCc1nc(-c2ccccc2)n(C(C)C)c1N
InChIInChI=1S/C16H23N3S/c1-4-20-11-10-14-15(17)19(12(2)3)16(18-14)13-8-6-5-7-9-13/h5-9,12H,4,10-11,17H2,1-3H3
InChIKeyLTECWMXWFOVNNE-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine (CID 116504978) is 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine is CCSCCc1nc(-c2ccccc2)n(C(C)C)c1N.
What is the InChIKey of 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is LTECWMXWFOVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-20-11-10-14-15(17)19(12(2)3)16(18-14)13-8-6-5-7-9-13/h5-9,12H,4,10-11,17H2,1-3H3.
What are the key properties of 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine?
5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 289.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 116504978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).