5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine

C11H12ClN3O — CID 12733709

IUPAC5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
SMILESCCOc1ccc(-c2nc(N)[nH]c2Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-2-16-8-5-3-7(4-6-8)9-10(12)15-11(13)14-9/h3-6H,2H2,1H3,(H3,13,14,15)
InChIKeyVZDKGRZGZJCCCU-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine

5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine (PubChem CID 12733709) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
PubChem CID12733709
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
SMILESCCOc1ccc(-c2nc(N)[nH]c2Cl)cc1
InChIInChI=1S/C11H12ClN3O/c1-2-16-8-5-3-7(4-6-8)9-10(12)15-11(13)14-9/h3-6H,2H2,1H3,(H3,13,14,15)
InChIKeyVZDKGRZGZJCCCU-UHFFFAOYSA-N
XLogP2.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine (CID 12733709) is 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine is CCOc1ccc(-c2nc(N)[nH]c2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine?
The InChIKey is VZDKGRZGZJCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-16-8-5-3-7(4-6-8)9-10(12)15-11(13)14-9/h3-6H,2H2,1H3,(H3,13,14,15).
What are the key properties of 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine?
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 12733709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).