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

C13H18ClN3O — CID 79505501

IUPAC1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCC1(C)CN=C(N)N1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-13(6-7-18-2)9-16-12(15)17(13)11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyVHFFDNRHPPVGNY-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.27
Rot. Bonds4

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

1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79505501) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79505501
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
SMILESCOCCC1(C)CN=C(N)N1c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-13(6-7-18-2)9-16-12(15)17(13)11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H2,15,16)
InChIKeyVHFFDNRHPPVGNY-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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Related Compounds

1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
CID 79504906
5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638
1-(3-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504905
5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 104654168
1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
CID 79521016
1-(3-chlorophenyl)-6-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505132
1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79499185
1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504679
1-(4-chlorophenyl)-5-hexyl-5-methyl-4H-imidazol-2-amine
CID 79521108
1-(3-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505809
1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine
CID 79514187
1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504985

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine (CID 79505501) is 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is COCCC1(C)CN=C(N)N1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is VHFFDNRHPPVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-13(6-7-18-2)9-16-12(15)17(13)11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H2,15,16).
What are the key properties of 1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine?
1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-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-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79505501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).