5-methyl-2-(1-propylimidazol-2-yl)aniline

C13H17N3 — CID 82766219

IUPAC5-methyl-2-(1-propylimidazol-2-yl)aniline
SMILESCCCn1ccnc1-c1ccc(C)cc1N
InChIInChI=1S/C13H17N3/c1-3-7-16-8-6-15-13(16)11-5-4-10(2)9-12(11)14/h4-6,8-9H,3,7,14H2,1-2H3
InChIKeyZQCQCIDLNIWMEL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.85
Rot. Bonds3

About 5-methyl-2-(1-propylimidazol-2-yl)aniline

5-methyl-2-(1-propylimidazol-2-yl)aniline (PubChem CID 82766219) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-2-(1-propylimidazol-2-yl)aniline.

Molecular Properties

Compound Name5-methyl-2-(1-propylimidazol-2-yl)aniline
PubChem CID82766219
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-methyl-2-(1-propylimidazol-2-yl)aniline
SMILESCCCn1ccnc1-c1ccc(C)cc1N
InChIInChI=1S/C13H17N3/c1-3-7-16-8-6-15-13(16)11-5-4-10(2)9-12(11)14/h4-6,8-9H,3,7,14H2,1-2H3
InChIKeyZQCQCIDLNIWMEL-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-methyl-2-(1-propylimidazol-2-yl)aniline 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-methyl-2-(1-propylimidazol-2-yl)aniline?
The IUPAC name of 5-methyl-2-(1-propylimidazol-2-yl)aniline (CID 82766219) is 5-methyl-2-(1-propylimidazol-2-yl)aniline.
What is the SMILES notation for 5-methyl-2-(1-propylimidazol-2-yl)aniline?
The canonical SMILES for 5-methyl-2-(1-propylimidazol-2-yl)aniline is CCCn1ccnc1-c1ccc(C)cc1N.
What is the InChIKey of 5-methyl-2-(1-propylimidazol-2-yl)aniline?
The InChIKey is ZQCQCIDLNIWMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-7-16-8-6-15-13(16)11-5-4-10(2)9-12(11)14/h4-6,8-9H,3,7,14H2,1-2H3.
What are the key properties of 5-methyl-2-(1-propylimidazol-2-yl)aniline?
5-methyl-2-(1-propylimidazol-2-yl)aniline has a molecular weight of 215.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-propylimidazol-2-yl)aniline is sourced from PubChem (CID 82766219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).