N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C15H19Cl2N3 — CID 106580603

IUPACN-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2cc(Cl)c(C)cc2Cl)n1
InChIInChI=1S/C15H19Cl2N3/c1-9(2)7-20-8-11(4)18-15(20)19-14-6-12(16)10(3)5-13(14)17/h5-6,8-9H,7H2,1-4H3,(H,18,19)
InChIKeyXPSQXGNYTBUHAT-UHFFFAOYSA-N
MW312.24 g/mol
LogP5.21
Rot. Bonds4

About N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106580603) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106580603
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2cc(Cl)c(C)cc2Cl)n1
InChIInChI=1S/C15H19Cl2N3/c1-9(2)7-20-8-11(4)18-15(20)19-14-6-12(16)10(3)5-13(14)17/h5-6,8-9H,7H2,1-4H3,(H,18,19)
InChIKeyXPSQXGNYTBUHAT-UHFFFAOYSA-N
XLogP5.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.24
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106580603) is N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2cc(Cl)c(C)cc2Cl)n1.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is XPSQXGNYTBUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-9(2)7-20-8-11(4)18-15(20)19-14-6-12(16)10(3)5-13(14)17/h5-6,8-9H,7H2,1-4H3,(H,18,19).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 312.24 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).