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

C17H23N3 — CID 62880244

IUPAC3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(CCc2ccccc2)c(N)n1C1CC1
InChIInChI=1S/C17H23N3/c1-12(2)17-19-15(16(18)20(17)14-9-10-14)11-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11,18H2,1-2H3
InChIKeyCTXDYFCRBPXSPJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds5

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

3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 62880244) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine
PubChem CID62880244
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(CCc2ccccc2)c(N)n1C1CC1
InChIInChI=1S/C17H23N3/c1-12(2)17-19-15(16(18)20(17)14-9-10-14)11-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11,18H2,1-2H3
InChIKeyCTXDYFCRBPXSPJ-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine (CID 62880244) is 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(CCc2ccccc2)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is CTXDYFCRBPXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)17-19-15(16(18)20(17)14-9-10-14)11-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11,18H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine?
3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-phenylethyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62880244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).