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

C15H23N3 — CID 79504950

IUPAC5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCc1ccc(N2C(N)=NCC2(C)CC(C)C)cc1
InChIInChI=1S/C15H23N3/c1-11(2)9-15(4)10-17-14(16)18(15)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H2,16,17)
InChIKeyDQQVGEXTJOVMBQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.93
Rot. Bonds3

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

5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79504950) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79504950
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCc1ccc(N2C(N)=NCC2(C)CC(C)C)cc1
InChIInChI=1S/C15H23N3/c1-11(2)9-15(4)10-17-14(16)18(15)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H2,16,17)
InChIKeyDQQVGEXTJOVMBQ-UHFFFAOYSA-N
XLogP2.93
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine (CID 79504950) is 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine is Cc1ccc(N2C(N)=NCC2(C)CC(C)C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is DQQVGEXTJOVMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)9-15(4)10-17-14(16)18(15)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H2,16,17).
What are the key properties of 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine?
5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79504950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).