1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

C15H19BrClN3O — CID 107618219

IUPAC1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H19BrClN3O/c1-3-21-8-4-7-18-15-19-11(2)10-20(15)12-5-6-13(16)14(17)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyZLOBPVJPPRSDPO-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.44
Rot. Bonds7

About 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine

1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 107618219) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID107618219
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H19BrClN3O/c1-3-21-8-4-7-18-15-19-11(2)10-20(15)12-5-6-13(16)14(17)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyZLOBPVJPPRSDPO-UHFFFAOYSA-N
XLogP4.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.44
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-(2,4-dibromophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106568715
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(4-chloro-3-methoxyphenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107623862
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106577977
1-(4-bromo-3-chlorophenyl)-4-methyl-N-phenylimidazol-2-amine
CID 107618232
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106566799
N-(3-ethoxypropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-4-methylimidazol-2-amine
CID 107465450
1-(2,4-dibromophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106568745
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 107618219) is 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCNc1nc(C)cn1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is ZLOBPVJPPRSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-3-21-8-4-7-18-15-19-11(2)10-20(15)12-5-6-13(16)14(17)9-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine?
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 372.69 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 107618219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).