5-(4-chlorophenyl)-1-ethylimidazol-2-amine

C11H12ClN3 — CID 6917233

IUPAC5-(4-chlorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C11H12ClN3/c1-2-15-10(7-14-11(15)13)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyGKEVITJVOSSUBH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.81
Rot. Bonds2

About 5-(4-chlorophenyl)-1-ethylimidazol-2-amine

5-(4-chlorophenyl)-1-ethylimidazol-2-amine (PubChem CID 6917233) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-ethylimidazol-2-amine
PubChem CID6917233
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-(4-chlorophenyl)-1-ethylimidazol-2-amine
SMILESCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C11H12ClN3/c1-2-15-10(7-14-11(15)13)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyGKEVITJVOSSUBH-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-(4-chlorophenyl)-1-ethylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-ethylimidazol-2-amine (CID 6917233) is 5-(4-chlorophenyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-ethylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-ethylimidazol-2-amine is CCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-ethylimidazol-2-amine?
The InChIKey is GKEVITJVOSSUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-2-15-10(7-14-11(15)13)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of 5-(4-chlorophenyl)-1-ethylimidazol-2-amine?
5-(4-chlorophenyl)-1-ethylimidazol-2-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-(4-chlorophenyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 6917233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).