3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine

C16H21N3S — CID 103090289

IUPAC3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine
SMILESCSCCCc1nc(-c2ccccc2)n(C2CC2)c1N
InChIInChI=1S/C16H21N3S/c1-20-11-5-8-14-15(17)19(13-9-10-13)16(18-14)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyZXQGQOWQFKLKKH-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.76
Rot. Bonds6

About 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine

3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine (PubChem CID 103090289) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine
PubChem CID103090289
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine
SMILESCSCCCc1nc(-c2ccccc2)n(C2CC2)c1N
InChIInChI=1S/C16H21N3S/c1-20-11-5-8-14-15(17)19(13-9-10-13)16(18-14)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyZXQGQOWQFKLKKH-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine
CID 62222087
3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
CID 62222615
3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
CID 116502906
3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
CID 53275781
2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
CID 103090267
3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine
CID 62880244
3-(2-methylpropyl)-2-phenyl-5-propylimidazol-4-amine
CID 62221197
3-cyclopropyl-2-ethyl-5-phenylimidazol-4-amine
CID 62220629
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-amine
CID 62879904
5-(2-ethylsulfanylethyl)-2-phenyl-3-propan-2-ylimidazol-4-amine
CID 116504978
4-cyclopropyl-3-phenyl-1H-1,2,4-triazole-5-thione
CID 22830448
3-cyclopropyl-2-ethyl-5-pentylimidazol-4-amine
CID 62220445

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine (CID 103090289) is 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine is CSCCCc1nc(-c2ccccc2)n(C2CC2)c1N.
What is the InChIKey of 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine?
The InChIKey is ZXQGQOWQFKLKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-20-11-5-8-14-15(17)19(13-9-10-13)16(18-14)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3.
What are the key properties of 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine?
3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine is sourced from PubChem (CID 103090289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).