3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline

C15H19N3 — CID 166246305

IUPAC3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline
SMILESCc1nc(CNc2cccc(C3CC3)c2)[nH]c1C
InChIInChI=1S/C15H19N3/c1-10-11(2)18-15(17-10)9-16-14-5-3-4-13(8-14)12-6-7-12/h3-5,8,12,16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyGAQLGPNXYBWTJD-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.52
Rot. Bonds4

About 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline

3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline (PubChem CID 166246305) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline
PubChem CID166246305
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline
SMILESCc1nc(CNc2cccc(C3CC3)c2)[nH]c1C
InChIInChI=1S/C15H19N3/c1-10-11(2)18-15(17-10)9-16-14-5-3-4-13(8-14)12-6-7-12/h3-5,8,12,16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyGAQLGPNXYBWTJD-UHFFFAOYSA-N
XLogP3.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]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 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline?
The IUPAC name of 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline (CID 166246305) is 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline is Cc1nc(CNc2cccc(C3CC3)c2)[nH]c1C.
What is the InChIKey of 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline?
The InChIKey is GAQLGPNXYBWTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-11(2)18-15(17-10)9-16-14-5-3-4-13(8-14)12-6-7-12/h3-5,8,12,16H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline?
3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline has a molecular weight of 241.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]aniline is sourced from PubChem (CID 166246305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).