N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine

C14H17Cl2N3O — CID 106560302

IUPACN-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N3O/c1-2-20-10-4-8-19-9-7-17-14(19)18-12-6-3-5-11(15)13(12)16/h3,5-7,9H,2,4,8,10H2,1H3,(H,17,18)
InChIKeyBOIHPFWDIQTEMC-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.36
Rot. Bonds7

About N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine

N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106560302) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106560302
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N3O/c1-2-20-10-4-8-19-9-7-17-14(19)18-12-6-3-5-11(15)13(12)16/h3,5-7,9H,2,4,8,10H2,1H3,(H,17,18)
InChIKeyBOIHPFWDIQTEMC-UHFFFAOYSA-N
XLogP4.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dichlorophenyl)-1-(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

N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
CID 106575856
N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568955
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556806
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
1-(3-ethoxypropyl)-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570947
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
1-(3-ethoxypropyl)-N-[(6-methyl-2-pyridinyl)methyl]imidazol-2-amine
CID 106569327
N-(4-bromo-5-fluoro-2-methylphenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106582285
1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
CID 106554048
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine (CID 106560302) is N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine is CCOCCCn1ccnc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is BOIHPFWDIQTEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-2-20-10-4-8-19-9-7-17-14(19)18-12-6-3-5-11(15)13(12)16/h3,5-7,9H,2,4,8,10H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 314.22 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106560302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).