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

C18H23N3 — CID 79971887

IUPAC3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2ccc(C3CC3)cc2)c(N)n1C1CC1
InChIInChI=1S/C18H23N3/c1-11(2)18-20-16(17(19)21(18)15-9-10-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,11-12,15H,3-4,9-10,19H2,1-2H3
InChIKeyVPZOXGVKAGVEQA-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.47
Rot. Bonds4

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

3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 79971887) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine
PubChem CID79971887
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2ccc(C3CC3)cc2)c(N)n1C1CC1
InChIInChI=1S/C18H23N3/c1-11(2)18-20-16(17(19)21(18)15-9-10-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,11-12,15H,3-4,9-10,19H2,1-2H3
InChIKeyVPZOXGVKAGVEQA-UHFFFAOYSA-N
XLogP4.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine (CID 79971887) is 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(-c2ccc(C3CC3)cc2)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is VPZOXGVKAGVEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-11(2)18-20-16(17(19)21(18)15-9-10-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,11-12,15H,3-4,9-10,19H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine?
3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 281.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-cyclopropylphenyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 79971887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).