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

C14H22IN3O — CID 120971444

IUPAC1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1cccc(OC(C)CNC2=NCCN2C)c1.I
InChIInChI=1S/C14H21N3O.HI/c1-11-5-4-6-13(9-11)18-12(2)10-16-14-15-7-8-17(14)3;/h4-6,9,12H,7-8,10H2,1-3H3,(H,15,16);1H
InChIKeyALRCAWVTNUZBHV-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.27
Rot. Bonds4

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

1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971444) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971444
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC Name1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1cccc(OC(C)CNC2=NCCN2C)c1.I
InChIInChI=1S/C14H21N3O.HI/c1-11-5-4-6-13(9-11)18-12(2)10-16-14-15-7-8-17(14)3;/h4-6,9,12H,7-8,10H2,1-3H3,(H,15,16);1H
InChIKeyALRCAWVTNUZBHV-UHFFFAOYSA-N
XLogP2.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969484
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
2-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 120971038
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111685583
2-methyl-1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111686083
6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
CID 133341092
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971444) is 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1cccc(OC(C)CNC2=NCCN2C)c1.I.
What is the InChIKey of 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is ALRCAWVTNUZBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.HI/c1-11-5-4-6-13(9-11)18-12(2)10-16-14-15-7-8-17(14)3;/h4-6,9,12H,7-8,10H2,1-3H3,(H,15,16);1H.
What are the key properties of 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 375.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methylphenoxy)propyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).