3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine

C16H21N3O — CID 116502906

IUPAC3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
SMILESCOCC(C)c1nc(-c2ccccc2)n(C2CC2)c1N
InChIInChI=1S/C16H21N3O/c1-11(10-20-2)14-15(17)19(13-8-9-13)16(18-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3
InChIKeyZQMGUHFHLXRFBT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds5

About 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine

3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine (PubChem CID 116502906) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
PubChem CID116502906
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
SMILESCOCC(C)c1nc(-c2ccccc2)n(C2CC2)c1N
InChIInChI=1S/C16H21N3O/c1-11(10-20-2)14-15(17)19(13-8-9-13)16(18-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3
InChIKeyZQMGUHFHLXRFBT-UHFFFAOYSA-N
XLogP3.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-pentan-3-yl-2-phenylimidazol-4-amine
CID 62222087
3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
CID 116502908
5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine
CID 116502910
2,3-dicyclopropyl-5-(1-methoxypropan-2-yl)imidazol-4-amine
CID 116502871
3-cyclopropyl-5-(3-methylsulfanylpropyl)-2-phenylimidazol-4-amine
CID 103090289
3-cyclopropyl-5-(1-methylpyrazol-4-yl)-2-phenylimidazol-4-amine
CID 62222615
3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
CID 53275781
2-phenyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 62222795
2-(1-methoxypropan-2-yl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 114933623
3-cyclopropyl-2-ethyl-5-phenylimidazol-4-amine
CID 62220629
2-(1-methoxypropan-2-yl)-8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 116503607
3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine
CID 62880244

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine (CID 116502906) is 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine is COCC(C)c1nc(-c2ccccc2)n(C2CC2)c1N.
What is the InChIKey of 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
The InChIKey is ZQMGUHFHLXRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(10-20-2)14-15(17)19(13-8-9-13)16(18-14)12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine?
3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine is sourced from PubChem (CID 116502906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).