4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine

C16H23N3 — CID 106571864

IUPAC4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-4-10-19-12-14(3)18-16(19)17-13(2)11-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyXKUMOGSLIUJTRK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.64
Rot. Bonds6

About 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine

4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine (PubChem CID 106571864) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine
PubChem CID106571864
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-4-10-19-12-14(3)18-16(19)17-13(2)11-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyXKUMOGSLIUJTRK-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-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 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine (CID 106571864) is 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine is CCCn1cc(C)nc1NC(C)Cc1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine?
The InChIKey is XKUMOGSLIUJTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-10-19-12-14(3)18-16(19)17-13(2)11-15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine?
4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106571864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).