N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

C15H19BrClN3O — CID 106571100

IUPACN-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H19BrClN3O/c1-3-21-8-4-7-20-10-11(2)18-15(20)19-14-9-12(16)5-6-13(14)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyPTCZVMPOOZVJEC-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.78
Rot. Bonds7

About N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106571100) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106571100
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC NameN-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H19BrClN3O/c1-3-21-8-4-7-20-10-11(2)18-15(20)19-14-9-12(16)5-6-13(14)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyPTCZVMPOOZVJEC-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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

N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106558383
N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106561203
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
CID 106575849
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106570107
1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106571100) is N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCn1cc(C)nc1Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is PTCZVMPOOZVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-3-21-8-4-7-20-10-11(2)18-15(20)19-14-9-12(16)5-6-13(14)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 372.69 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106571100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).