2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine

C17H21N3O — CID 62218473

IUPAC2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)(C)C)nc(-c2ccccc2OC)c1N
InChIInChI=1S/C17H21N3O/c1-6-11-20-15(18)14(19-16(20)17(2,3)4)12-9-7-8-10-13(12)21-5/h1,7-10H,11,18H2,2-5H3
InChIKeyDJLDBFNOTYFRGA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.07
Rot. Bonds3

About 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine

2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 62218473) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
PubChem CID62218473
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C(C)(C)C)nc(-c2ccccc2OC)c1N
InChIInChI=1S/C17H21N3O/c1-6-11-20-15(18)14(19-16(20)17(2,3)4)12-9-7-8-10-13(12)21-5/h1,7-10H,11,18H2,2-5H3
InChIKeyDJLDBFNOTYFRGA-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-(2-fluorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 62220785
2-tert-butyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 62220774
2-ethyl-5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62224543
5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 62221059
5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 104818038
2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096311
2-tert-butyl-5-(2-methylpropyl)-3-prop-2-ynylimidazol-4-amine
CID 62220767
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
2-ethyl-5-(2-methoxyphenyl)-3-propan-2-ylimidazol-4-amine
CID 62220440
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 53275789
5-(2-ethoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62225067
8-(2-methoxyphenyl)-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
CID 88896689

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine (CID 62218473) is 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C(C)(C)C)nc(-c2ccccc2OC)c1N.
What is the InChIKey of 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is DJLDBFNOTYFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-6-11-20-15(18)14(19-16(20)17(2,3)4)12-9-7-8-10-13(12)21-5/h1,7-10H,11,18H2,2-5H3.
What are the key properties of 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62218473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).