2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine

C16H17N3O — CID 62218804

IUPAC2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CC2)nc(-c2cccc(OC)c2)c1N
InChIInChI=1S/C16H17N3O/c1-3-9-19-15(17)14(18-16(19)11-7-8-11)12-5-4-6-13(10-12)20-2/h1,4-6,10-11H,7-9,17H2,2H3
InChIKeyIIWHJEIDNGRZPX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.65
Rot. Bonds4

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

2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 62218804) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
PubChem CID62218804
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(C2CC2)nc(-c2cccc(OC)c2)c1N
InChIInChI=1S/C16H17N3O/c1-3-9-19-15(17)14(18-16(19)11-7-8-11)12-5-4-6-13(10-12)20-2/h1,4-6,10-11H,7-9,17H2,2H3
InChIKeyIIWHJEIDNGRZPX-UHFFFAOYSA-N
XLogP2.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine (CID 62218804) is 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(C2CC2)nc(-c2cccc(OC)c2)c1N.
What is the InChIKey of 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is IIWHJEIDNGRZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-9-19-15(17)14(18-16(19)11-7-8-11)12-5-4-6-13(10-12)20-2/h1,4-6,10-11H,7-9,17H2,2H3.
What are the key properties of 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine?
2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 267.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62218804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).