1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine

C12H16ClN3 — CID 79504906

IUPAC1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCC1(C)CN=C(N)N1c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3/c1-3-12(2)8-15-11(14)16(12)10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyMGYAALWXNIMGOO-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine

1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79504906) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
PubChem CID79504906
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCC1(C)CN=C(N)N1c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN3/c1-3-12(2)8-15-11(14)16(12)10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyMGYAALWXNIMGOO-UHFFFAOYSA-N
XLogP2.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine (CID 79504906) is 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine is CCC1(C)CN=C(N)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is MGYAALWXNIMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-3-12(2)8-15-11(14)16(12)10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine?
1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 237.73 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).