5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine

C17H27N3 — CID 79498451

IUPAC5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N3/c1-12(2)10-20-16(18)19-11-17(20,5)15-8-6-14(7-9-15)13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H2,18,19)
InChIKeyZRWIGPRWZXKMHP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.31
Rot. Bonds4

About 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine

5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine (PubChem CID 79498451) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine
PubChem CID79498451
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27N3/c1-12(2)10-20-16(18)19-11-17(20,5)15-8-6-14(7-9-15)13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H2,18,19)
InChIKeyZRWIGPRWZXKMHP-UHFFFAOYSA-N
XLogP3.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine (CID 79498451) is 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine is CC(C)CN1C(N)=NCC1(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine?
The InChIKey is ZRWIGPRWZXKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)10-20-16(18)19-11-17(20,5)15-8-6-14(7-9-15)13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H2,18,19).
What are the key properties of 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine?
5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79498451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).