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

C16H21N3S — CID 107133521

IUPAC2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine
SMILESCC(C)n1c(-c2ccccc2)nc(C2CCSC2)c1N
InChIInChI=1S/C16H21N3S/c1-11(2)19-15(17)14(13-8-9-20-10-13)18-16(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3
InChIKeyVQJSYFNGXPYVGN-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.93
Rot. Bonds3

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

2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine (PubChem CID 107133521) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine.

Molecular Properties

Compound Name2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine
PubChem CID107133521
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine
SMILESCC(C)n1c(-c2ccccc2)nc(C2CCSC2)c1N
InChIInChI=1S/C16H21N3S/c1-11(2)19-15(17)14(13-8-9-20-10-13)18-16(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3
InChIKeyVQJSYFNGXPYVGN-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-propyl-5-(thiolan-3-yl)imidazol-4-amine
CID 107133520
3-benzyl-2-cyclopropyl-5-(thiolan-3-yl)imidazol-4-amine
CID 107133492
3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine
CID 107133441
2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine
CID 62221346
2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
CID 107133535
5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine
CID 116504978
4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine
CID 63737203
2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine
CID 62218775
1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
CID 164644483
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
6-bromo-2-(thian-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 114283172
1-(2-deuteriopropan-2-yl)-2-phenylbenzimidazole
CID 166563925

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine?
The IUPAC name of 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine (CID 107133521) is 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine.
What is the SMILES notation for 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine?
The canonical SMILES for 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine is CC(C)n1c(-c2ccccc2)nc(C2CCSC2)c1N.
What is the InChIKey of 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine?
The InChIKey is VQJSYFNGXPYVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11(2)19-15(17)14(13-8-9-20-10-13)18-16(19)12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3.
What are the key properties of 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine?
2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-yl-5-(thiolan-3-yl)imidazol-4-amine is sourced from PubChem (CID 107133521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).