N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C14H22IN3O2 — CID 120971952

IUPACN-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1ccc(COCCNC2=NCCN2C)cc1.I
InChIInChI=1S/C14H21N3O2.HI/c1-17-9-7-15-14(17)16-8-10-19-11-12-3-5-13(18-2)6-4-12;/h3-6H,7-11H2,1-2H3,(H,15,16);1H
InChIKeyXMKFZGAWUNWMNR-UHFFFAOYSA-N
MW391.25 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971952) has the molecular formula C14H22IN3O2 and a molecular weight of 391.25 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971952
Molecular FormulaC14H22IN3O2
Molecular Weight391.25 g/mol
Exact Mass391.08
IUPAC NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1ccc(COCCNC2=NCCN2C)cc1.I
InChIInChI=1S/C14H21N3O2.HI/c1-17-9-7-15-14(17)16-8-10-19-11-12-3-5-13(18-2)6-4-12;/h3-6H,7-11H2,1-2H3,(H,15,16);1H
InChIKeyXMKFZGAWUNWMNR-UHFFFAOYSA-N
XLogP1.72
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971833
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096217
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971559
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
N-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970232
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971952) is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COc1ccc(COCCNC2=NCCN2C)cc1.I.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is XMKFZGAWUNWMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.HI/c1-17-9-7-15-14(17)16-8-10-19-11-12-3-5-13(18-2)6-4-12;/h3-6H,7-11H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 391.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).