1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C15H24IN3O — CID 120970488

IUPAC1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(C)COc1cccc(CNC2=NCCN2C)c1.I
InChIInChI=1S/C15H23N3O.HI/c1-12(2)11-19-14-6-4-5-13(9-14)10-17-15-16-7-8-18(15)3;/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,16,17);1H
InChIKeyULOTTXBJBQOPGE-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.73
Rot. Bonds5

About 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970488) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970488
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(C)COc1cccc(CNC2=NCCN2C)c1.I
InChIInChI=1S/C15H23N3O.HI/c1-12(2)11-19-14-6-4-5-13(9-14)10-17-15-16-7-8-18(15)3;/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,16,17);1H
InChIKeyULOTTXBJBQOPGE-UHFFFAOYSA-N
XLogP2.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide 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

2-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 120971038
1-methyl-N-[[3-(methylsulfanylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972308
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
CID 120969422
2,4,5-trichloro-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54797603
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970707
1-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid
CID 19624801

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970488) is 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CC(C)COc1cccc(CNC2=NCCN2C)c1.I.
What is the InChIKey of 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is ULOTTXBJBQOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-12(2)11-19-14-6-4-5-13(9-14)10-17-15-16-7-8-18(15)3;/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).