2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine

C10H11ClN4 — CID 149034887

IUPAC2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine
SMILESCc1ccc(NC2=NCC(N)=N2)cc1Cl
InChIInChI=1S/C10H11ClN4/c1-6-2-3-7(4-8(6)11)14-10-13-5-9(12)15-10/h2-4H,5H2,1H3,(H3,12,13,14,15)
InChIKeyQGKXTLCCZBRVJS-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.79
Rot. Bonds1

About 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine

2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine (PubChem CID 149034887) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine
PubChem CID149034887
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine
SMILESCc1ccc(NC2=NCC(N)=N2)cc1Cl
InChIInChI=1S/C10H11ClN4/c1-6-2-3-7(4-8(6)11)14-10-13-5-9(12)15-10/h2-4H,5H2,1H3,(H3,12,13,14,15)
InChIKeyQGKXTLCCZBRVJS-UHFFFAOYSA-N
XLogP1.79
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine (CID 149034887) is 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine is Cc1ccc(NC2=NCC(N)=N2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine?
The InChIKey is QGKXTLCCZBRVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-2-3-7(4-8(6)11)14-10-13-5-9(12)15-10/h2-4H,5H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine?
2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine has a molecular weight of 222.68 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4H-imidazole-2,5-diamine is sourced from PubChem (CID 149034887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).