1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine

C15H19Cl2N3O — CID 106580610

IUPAC1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-3-21-8-4-5-18-15-19-6-7-20(15)14-10-12(16)11(2)9-13(14)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyYMPOAXNSBKHKOS-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.33
Rot. Bonds7

About 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine

1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106580610) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106580610
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-3-21-8-4-5-18-15-19-6-7-20(15)14-10-12(16)11(2)9-13(14)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyYMPOAXNSBKHKOS-UHFFFAOYSA-N
XLogP4.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106557243
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 107605184
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106580610) is 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1-c1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is YMPOAXNSBKHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-3-21-8-4-5-18-15-19-6-7-20(15)14-10-12(16)11(2)9-13(14)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 328.24 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106580610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).