5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine

C16H21N3O — CID 116502910

IUPAC5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(-c2ccccc2)nc(C(C)COC)c1N
InChIInChI=1S/C16H21N3O/c1-4-10-19-15(17)14(12(2)11-20-3)18-16(19)13-8-6-5-7-9-13/h4-9,12H,1,10-11,17H2,2-3H3
InChIKeyGROILBLRFPTOJG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.07
Rot. Bonds6

About 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine

5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine (PubChem CID 116502910) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine
PubChem CID116502910
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(-c2ccccc2)nc(C(C)COC)c1N
InChIInChI=1S/C16H21N3O/c1-4-10-19-15(17)14(12(2)11-20-3)18-16(19)13-8-6-5-7-9-13/h4-9,12H,1,10-11,17H2,2-3H3
InChIKeyGROILBLRFPTOJG-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
CID 116502908
3-cyclopropyl-5-(1-methoxypropan-2-yl)-2-phenylimidazol-4-amine
CID 116502906
5-tert-butyl-2-phenyl-3-prop-2-enylimidazol-4-amine
CID 62222452
2-phenyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 62222795
methyl (2S)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 99609477
2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 3641292
2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224890
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
CID 169224537
(2S)-1-(4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 7168932
3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine
CID 62221198
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine (CID 116502910) is 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(-c2ccccc2)nc(C(C)COC)c1N.
What is the InChIKey of 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is GROILBLRFPTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-10-19-15(17)14(12(2)11-20-3)18-16(19)13-8-6-5-7-9-13/h4-9,12H,1,10-11,17H2,2-3H3.
What are the key properties of 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine?
5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yl)-2-phenyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 116502910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).