5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine

C16H21N3 — CID 79980830

IUPAC5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2ccc(C3CC3)cc2)c(N)n1CC
InChIInChI=1S/C16H21N3/c1-3-14-18-15(16(17)19(14)4-2)13-9-7-12(8-10-13)11-5-6-11/h7-11H,3-6,17H2,1-2H3
InChIKeyXDSINWPDMAMQCT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.59
Rot. Bonds4

About 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine

5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine (PubChem CID 79980830) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine
PubChem CID79980830
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine
SMILESCCc1nc(-c2ccc(C3CC3)cc2)c(N)n1CC
InChIInChI=1S/C16H21N3/c1-3-14-18-15(16(17)19(14)4-2)13-9-7-12(8-10-13)11-5-6-11/h7-11H,3-6,17H2,1-2H3
InChIKeyXDSINWPDMAMQCT-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-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-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine?
The IUPAC name of 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine (CID 79980830) is 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine?
The canonical SMILES for 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine is CCc1nc(-c2ccc(C3CC3)cc2)c(N)n1CC.
What is the InChIKey of 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine?
The InChIKey is XDSINWPDMAMQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-14-18-15(16(17)19(14)4-2)13-9-7-12(8-10-13)11-5-6-11/h7-11H,3-6,17H2,1-2H3.
What are the key properties of 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine?
5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenyl)-2,3-diethylimidazol-4-amine is sourced from PubChem (CID 79980830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).