5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine

C11H14ClN3 — CID 79510115

IUPAC5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine
SMILESCCC1(c2cccc(Cl)c2)CN=C(N)N1
InChIInChI=1S/C11H14ClN3/c1-2-11(7-14-10(13)15-11)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H3,13,14,15)
InChIKeyVSPPZVVPACJPDJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.86
Rot. Bonds2

About 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine

5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine (PubChem CID 79510115) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine
PubChem CID79510115
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine
SMILESCCC1(c2cccc(Cl)c2)CN=C(N)N1
InChIInChI=1S/C11H14ClN3/c1-2-11(7-14-10(13)15-11)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H3,13,14,15)
InChIKeyVSPPZVVPACJPDJ-UHFFFAOYSA-N
XLogP1.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine (CID 79510115) is 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine is CCC1(c2cccc(Cl)c2)CN=C(N)N1.
What is the InChIKey of 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine?
The InChIKey is VSPPZVVPACJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-2-11(7-14-10(13)15-11)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H3,13,14,15).
What are the key properties of 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine?
5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine has a molecular weight of 223.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-ethyl-1,4-dihydroimidazol-2-amine is sourced from PubChem (CID 79510115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).