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

C10H9Cl2N3 — CID 106580607

IUPACN-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine
SMILESCc1cc(Cl)c(Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c1-6-4-8(12)9(5-7(6)11)15-10-13-2-3-14-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyVAZXCPJAUCNSGK-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.77
Rot. Bonds2

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

N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine (PubChem CID 106580607) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine
PubChem CID106580607
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine
SMILESCc1cc(Cl)c(Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c1-6-4-8(12)9(5-7(6)11)15-10-13-2-3-14-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyVAZXCPJAUCNSGK-UHFFFAOYSA-N
XLogP3.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine (CID 106580607) is N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine is Cc1cc(Cl)c(Nc2ncc[nH]2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine?
The InChIKey is VAZXCPJAUCNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-6-4-8(12)9(5-7(6)11)15-10-13-2-3-14-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine?
N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine has a molecular weight of 242.11 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106580607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).