4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine

C16H23N3 — CID 106561547

IUPAC4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine
SMILESCCCc1ccc(Nc2nc(C)cn2C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-5-6-14-7-9-15(10-8-14)18-16-17-13(4)11-19(16)12(2)3/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyYAAMAXCESRKJDA-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.47
Rot. Bonds5

About 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine

4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine (PubChem CID 106561547) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine
PubChem CID106561547
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine
SMILESCCCc1ccc(Nc2nc(C)cn2C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-5-6-14-7-9-15(10-8-14)18-16-17-13(4)11-19(16)12(2)3/h7-12H,5-6H2,1-4H3,(H,17,18)
InChIKeyYAAMAXCESRKJDA-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine (CID 106561547) is 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine is CCCc1ccc(Nc2nc(C)cn2C(C)C)cc1.
What is the InChIKey of 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine?
The InChIKey is YAAMAXCESRKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-6-14-7-9-15(10-8-14)18-16-17-13(4)11-19(16)12(2)3/h7-12H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine?
4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine is sourced from PubChem (CID 106561547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).