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

C14H17BrClN3O — CID 106576622

IUPAC1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClN3O/c1-2-20-9-3-6-17-14-18-7-8-19(14)11-4-5-13(16)12(15)10-11/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyLURSPCJIUDPTHT-UHFFFAOYSA-N
MW358.67 g/mol
LogP4.13
Rot. Bonds7

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

1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106576622) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106576622
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClN3O/c1-2-20-9-3-6-17-14-18-7-8-19(14)11-4-5-13(16)12(15)10-11/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyLURSPCJIUDPTHT-UHFFFAOYSA-N
XLogP4.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 54.13
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-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106557243
1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106580610
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
CID 106576642
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-propylimidazol-2-amine
CID 107336932
1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106576622) is 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is LURSPCJIUDPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-2-20-9-3-6-17-14-18-7-8-19(14)11-4-5-13(16)12(15)10-11/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18).
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 358.67 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106576622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).