2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine

C16H21N3S — CID 107133520

IUPAC2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine
SMILESCCCn1c(-c2ccccc2)nc(C2CCSC2)c1N
InChIInChI=1S/C16H21N3S/c1-2-9-19-15(17)14(13-8-10-20-11-13)18-16(19)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3
InChIKeyVVKFLUVSWOKBKY-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.76
Rot. Bonds4

About 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine

2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine (PubChem CID 107133520) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine.

Molecular Properties

Compound Name2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine
PubChem CID107133520
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine
SMILESCCCn1c(-c2ccccc2)nc(C2CCSC2)c1N
InChIInChI=1S/C16H21N3S/c1-2-9-19-15(17)14(13-8-10-20-11-13)18-16(19)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3
InChIKeyVVKFLUVSWOKBKY-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine?
The IUPAC name of 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine (CID 107133520) is 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine.
What is the SMILES notation for 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine?
The canonical SMILES for 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine is CCCn1c(-c2ccccc2)nc(C2CCSC2)c1N.
What is the InChIKey of 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine?
The InChIKey is VVKFLUVSWOKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-9-19-15(17)14(13-8-10-20-11-13)18-16(19)12-6-4-3-5-7-12/h3-7,13H,2,8-11,17H2,1H3.
What are the key properties of 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine?
2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine is sourced from PubChem (CID 107133520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).