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

C13H20IN3O — CID 120969504

IUPACN-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCOc1ccccc1CNC1=NCCN1C.I
InChIInChI=1S/C13H19N3O.HI/c1-3-17-12-7-5-4-6-11(12)10-15-13-14-8-9-16(13)2;/h4-7H,3,8-10H2,1-2H3,(H,14,15);1H
InChIKeyGHACMBCTIKBVBB-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.09
Rot. Bonds4

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

N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969504) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969504
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCOc1ccccc1CNC1=NCCN1C.I
InChIInChI=1S/C13H19N3O.HI/c1-3-17-12-7-5-4-6-11(12)10-15-13-14-8-9-16(13)2;/h4-7H,3,8-10H2,1-2H3,(H,14,15);1H
InChIKeyGHACMBCTIKBVBB-UHFFFAOYSA-N
XLogP2.09
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.09
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-ethoxy-4-methylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971604
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970341
N-[(2-ethoxy-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969710
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970144
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972793
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969504) is N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CCOc1ccccc1CNC1=NCCN1C.I.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is GHACMBCTIKBVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.HI/c1-3-17-12-7-5-4-6-11(12)10-15-13-14-8-9-16(13)2;/h4-7H,3,8-10H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 361.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).