4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline

C13H17N3 — CID 165056409

IUPAC4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline
SMILESCCCNc1ccc(-c2ncc(C)[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-3-8-14-12-6-4-11(5-7-12)13-15-9-10(2)16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyWCOCXDYITDLATC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.21
Rot. Bonds4

About 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline

4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline (PubChem CID 165056409) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline.

Molecular Properties

Compound Name4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline
PubChem CID165056409
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline
SMILESCCCNc1ccc(-c2ncc(C)[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-3-8-14-12-6-4-11(5-7-12)13-15-9-10(2)16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyWCOCXDYITDLATC-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline 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 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline?
The IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline (CID 165056409) is 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline.
What is the SMILES notation for 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline?
The canonical SMILES for 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline is CCCNc1ccc(-c2ncc(C)[nH]2)cc1.
What is the InChIKey of 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline?
The InChIKey is WCOCXDYITDLATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-8-14-12-6-4-11(5-7-12)13-15-9-10(2)16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline?
4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline has a molecular weight of 215.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-imidazol-2-yl)-N-propylaniline is sourced from PubChem (CID 165056409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).