2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol

C14H17Cl2N3O2 — CID 68708510

IUPAC2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCOCCO
InChIInChI=1S/C14H17Cl2N3O2/c15-10-1-2-11(12(16)7-10)14-13(8-17)19(9-18-14)3-5-21-6-4-20/h1-2,7,9,20H,3-6,8,17H2
InChIKeyUBKWEYDEGIJYPD-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.32
Rot. Bonds7

About 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol

2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol (PubChem CID 68708510) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol
PubChem CID68708510
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCOCCO
InChIInChI=1S/C14H17Cl2N3O2/c15-10-1-2-11(12(16)7-10)14-13(8-17)19(9-18-14)3-5-21-6-4-20/h1-2,7,9,20H,3-6,8,17H2
InChIKeyUBKWEYDEGIJYPD-UHFFFAOYSA-N
XLogP2.32
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol 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

4-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 68708733
[5-(2,4-dichlorophenyl)-3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methanamine
CID 59340344
4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol
CID 68709476
[5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methanamine
CID 68710194
[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine
CID 24765451
[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
CID 24764792
1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
CID 68708933
[5-(2-chloro-4-fluorophenyl)-3-[(2,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
CID 24764611
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62019426
N-[2-[5-(2-aminoethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]-5-nitropyridin-2-amine
CID 68710531

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol (CID 68708510) is 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol is NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCOCCO.
What is the InChIKey of 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol?
The InChIKey is UBKWEYDEGIJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-10-1-2-11(12(16)7-10)14-13(8-17)19(9-18-14)3-5-21-6-4-20/h1-2,7,9,20H,3-6,8,17H2.
What are the key properties of 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol?
2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol has a molecular weight of 330.22 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 68708510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).