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

C13H18ClN3O — CID 79521015

IUPAC1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
SMILESCCC1(COC)CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O/c1-3-13(9-18-2)8-16-12(15)17(13)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,16)
InChIKeySLDUSPHNHOYSHG-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.27
Rot. Bonds4

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

1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine (PubChem CID 79521015) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
PubChem CID79521015
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine
SMILESCCC1(COC)CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O/c1-3-13(9-18-2)8-16-12(15)17(13)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,16)
InChIKeySLDUSPHNHOYSHG-UHFFFAOYSA-N
XLogP2.27
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine (CID 79521015) is 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine is CCC1(COC)CN=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
The InChIKey is SLDUSPHNHOYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-13(9-18-2)8-16-12(15)17(13)11-6-4-10(14)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine?
1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine has a molecular weight of 267.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-ethyl-5-(methoxymethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79521015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).