N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H18ClN3O — CID 120971467

IUPACN-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCC(CNC1=NCCN1C)Oc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-10(9-16-13-15-7-8-17(13)2)18-12-6-4-3-5-11(12)14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyDUDBYBPQJVTQNK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.00
Rot. Bonds4

About N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971467) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971467
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCC(CNC1=NCCN1C)Oc1ccccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-10(9-16-13-15-7-8-17(13)2)18-12-6-4-3-5-11(12)14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyDUDBYBPQJVTQNK-UHFFFAOYSA-N
XLogP2.00
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-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-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline
CID 54797024
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine
CID 120970313
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969484
N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
CID 62571196
2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
CID 120972167
N-(2-ethoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972441
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971467) is N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine is CC(CNC1=NCCN1C)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DUDBYBPQJVTQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(9-16-13-15-7-8-17(13)2)18-12-6-4-3-5-11(12)14/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 267.76 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).