5-(2-chlorophenyl)-3-ethylimidazol-4-amine

C11H12ClN3 — CID 62018842

IUPAC5-(2-chlorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2ccccc2Cl)c1N
InChIInChI=1S/C11H12ClN3/c1-2-15-7-14-10(11(15)13)8-5-3-4-6-9(8)12/h3-7H,2,13H2,1H3
InChIKeyJRRALANSBJNKDA-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.81
Rot. Bonds2

About 5-(2-chlorophenyl)-3-ethylimidazol-4-amine

5-(2-chlorophenyl)-3-ethylimidazol-4-amine (PubChem CID 62018842) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-ethylimidazol-4-amine
PubChem CID62018842
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-(2-chlorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2ccccc2Cl)c1N
InChIInChI=1S/C11H12ClN3/c1-2-15-7-14-10(11(15)13)8-5-3-4-6-9(8)12/h3-7H,2,13H2,1H3
InChIKeyJRRALANSBJNKDA-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-ethylimidazol-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-3-ethylimidazol-4-amine (CID 62018842) is 5-(2-chlorophenyl)-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-3-ethylimidazol-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-3-ethylimidazol-4-amine is CCn1cnc(-c2ccccc2Cl)c1N.
What is the InChIKey of 5-(2-chlorophenyl)-3-ethylimidazol-4-amine?
The InChIKey is JRRALANSBJNKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-2-15-7-14-10(11(15)13)8-5-3-4-6-9(8)12/h3-7H,2,13H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-ethylimidazol-4-amine?
5-(2-chlorophenyl)-3-ethylimidazol-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-ethylimidazol-4-amine is sourced from PubChem (CID 62018842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).