N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine

C12H13Cl2N3 — CID 106560336

IUPACN-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3/c1-3-17-7-8(2)15-12(17)16-10-6-4-5-9(13)11(10)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyKOQXWQBAZSEQFI-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.26
Rot. Bonds3

About N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine

N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106560336) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106560336
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC NameN-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3/c1-3-17-7-8(2)15-12(17)16-10-6-4-5-9(13)11(10)14/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyKOQXWQBAZSEQFI-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
N-(3-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106576656
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106560763
N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106556313
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
N-(1-ethyl-4-methylimidazol-2-yl)-2,4-dimethylpyridin-3-amine
CID 112742011
1-ethyl-4-methyl-N-(1-methylpyrazol-3-yl)imidazol-2-amine
CID 106562971

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine (CID 106560336) is N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is KOQXWQBAZSEQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-3-17-7-8(2)15-12(17)16-10-6-4-5-9(13)11(10)14/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine?
N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 270.16 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106560336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).