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

C17H26IN3O2 — CID 120971572

IUPAC1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1ccc(CNC2=NCCN2C)c(OCC2CCOC2)c1.I
InChIInChI=1S/C17H25N3O2.HI/c1-13-3-4-15(10-19-17-18-6-7-20(17)2)16(9-13)22-12-14-5-8-21-11-14;/h3-4,9,14H,5-8,10-12H2,1-2H3,(H,18,19);1H
InChIKeyYFRJYASWLTVOEJ-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.42
Rot. Bonds5

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

1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971572) has the molecular formula C17H26IN3O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971572
Molecular FormulaC17H26IN3O2
Molecular Weight431.32 g/mol
Exact Mass431.11
IUPAC Name1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1ccc(CNC2=NCCN2C)c(OCC2CCOC2)c1.I
InChIInChI=1S/C17H25N3O2.HI/c1-13-3-4-15(10-19-17-18-6-7-20(17)2)16(9-13)22-12-14-5-8-21-11-14;/h3-4,9,14H,5-8,10-12H2,1-2H3,(H,18,19);1H
InChIKeyYFRJYASWLTVOEJ-UHFFFAOYSA-N
XLogP2.42
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120971631
N-[(2-ethoxy-4-methylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971604
1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120971615
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472317
1-ethyl-1-methyl-3-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]urea
CID 97055346
5-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 71921983
6-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 71856661
N-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 97052061
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971572) is 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1ccc(CNC2=NCCN2C)c(OCC2CCOC2)c1.I.
What is the InChIKey of 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is YFRJYASWLTVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.HI/c1-13-3-4-15(10-19-17-18-6-7-20(17)2)16(9-13)22-12-14-5-8-21-11-14;/h3-4,9,14H,5-8,10-12H2,1-2H3,(H,18,19);1H.
What are the key properties of 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 431.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).