5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine

C12H14ClN3 — CID 62226374

IUPAC5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1C
InChIInChI=1S/C12H14ClN3/c1-3-10-15-11(12(14)16(10)2)8-5-4-6-9(13)7-8/h4-7H,3,14H2,1-2H3
InChIKeyZMJJIXVKZRUISX-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.89
Rot. Bonds2

About 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine

5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine (PubChem CID 62226374) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
PubChem CID62226374
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2cccc(Cl)c2)c(N)n1C
InChIInChI=1S/C12H14ClN3/c1-3-10-15-11(12(14)16(10)2)8-5-4-6-9(13)7-8/h4-7H,3,14H2,1-2H3
InChIKeyZMJJIXVKZRUISX-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine (CID 62226374) is 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine is CCc1nc(-c2cccc(Cl)c2)c(N)n1C.
What is the InChIKey of 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine?
The InChIKey is ZMJJIXVKZRUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-3-10-15-11(12(14)16(10)2)8-5-4-6-9(13)7-8/h4-7H,3,14H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine?
5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine has a molecular weight of 235.72 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine is sourced from PubChem (CID 62226374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).