1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine

C11H11Cl2N3 — CID 106580639

IUPAC1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Cl)c(C)cc2Cl)c(N)n1
InChIInChI=1S/C11H11Cl2N3/c1-6-3-9(13)10(4-8(6)12)16-5-7(2)15-11(16)14/h3-5H,1-2H3,(H2,14,15)
InChIKeyFURYWGXKIAAEBQ-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.38
Rot. Bonds1

About 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine

1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106580639) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106580639
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(-c2cc(Cl)c(C)cc2Cl)c(N)n1
InChIInChI=1S/C11H11Cl2N3/c1-6-3-9(13)10(4-8(6)12)16-5-7(2)15-11(16)14/h3-5H,1-2H3,(H2,14,15)
InChIKeyFURYWGXKIAAEBQ-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine (CID 106580639) is 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine is Cc1cn(-c2cc(Cl)c(C)cc2Cl)c(N)n1.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is FURYWGXKIAAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-6-3-9(13)10(4-8(6)12)16-5-7(2)15-11(16)14/h3-5H,1-2H3,(H2,14,15).
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine?
1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 256.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106580639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).