1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine

C14H18BrN3O — CID 106558600

IUPAC1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-2-19-11-3-8-16-14-17-9-10-18(14)13-6-4-12(15)5-7-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,16,17)
InChIKeyDWTAPYRNMPPVIE-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.47
Rot. Bonds7

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

1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106558600) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106558600
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-2-19-11-3-8-16-14-17-9-10-18(14)13-6-4-12(15)5-7-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,16,17)
InChIKeyDWTAPYRNMPPVIE-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106557243
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368
1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106580610
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
CID 106558616
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106558600) is 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is DWTAPYRNMPPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-2-19-11-3-8-16-14-17-9-10-18(14)13-6-4-12(15)5-7-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,16,17).
What are the key properties of 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 324.22 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106558600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).