2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine

C17H23N3 — CID 62218775

IUPAC2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(c1ccccc1)c1nc(C2CC2)n(C(C)C)c1N
InChIInChI=1S/C17H23N3/c1-11(2)20-16(18)15(19-17(20)14-9-10-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,18H2,1-3H3
InChIKeyGFEKWYWWEXYXMW-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.08
Rot. Bonds4

About 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine

2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62218775) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62218775
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(c1ccccc1)c1nc(C2CC2)n(C(C)C)c1N
InChIInChI=1S/C17H23N3/c1-11(2)20-16(18)15(19-17(20)14-9-10-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,18H2,1-3H3
InChIKeyGFEKWYWWEXYXMW-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine (CID 62218775) is 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine is CC(c1ccccc1)c1nc(C2CC2)n(C(C)C)c1N.
What is the InChIKey of 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is GFEKWYWWEXYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11(2)20-16(18)15(19-17(20)14-9-10-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10,18H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine?
2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(1-phenylethyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62218775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).