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

C17H23N3 — CID 79979952

IUPAC5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2cccc(C3CC3)c2)c(N)n1C(C)C
InChIInChI=1S/C17H23N3/c1-4-15-19-16(17(18)20(15)11(2)3)14-7-5-6-13(10-14)12-8-9-12/h5-7,10-12H,4,8-9,18H2,1-3H3
InChIKeyLBDOOHFMJTXJKD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds4

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

5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (PubChem CID 79979952) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
PubChem CID79979952
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
SMILESCCc1nc(-c2cccc(C3CC3)c2)c(N)n1C(C)C
InChIInChI=1S/C17H23N3/c1-4-15-19-16(17(18)20(15)11(2)3)14-7-5-6-13(10-14)12-8-9-12/h5-7,10-12H,4,8-9,18H2,1-3H3
InChIKeyLBDOOHFMJTXJKD-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine (CID 79979952) is 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is CCc1nc(-c2cccc(C3CC3)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is LBDOOHFMJTXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-15-19-16(17(18)20(15)11(2)3)14-7-5-6-13(10-14)12-8-9-12/h5-7,10-12H,4,8-9,18H2,1-3H3.
What are the key properties of 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine?
5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylphenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 79979952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).