N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C17H20N4O2 — CID 120969728

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(Oc2ccc(CNC3=NCCN3C)cn2)c1
InChIInChI=1S/C17H20N4O2/c1-21-9-8-18-17(21)20-12-13-6-7-16(19-11-13)23-15-5-3-4-14(10-15)22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,20)
InChIKeyTXEZVEFUJMZWGC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds5

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120969728) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120969728
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCOc1cccc(Oc2ccc(CNC3=NCCN3C)cn2)c1
InChIInChI=1S/C17H20N4O2/c1-21-9-8-18-17(21)20-12-13-6-7-16(19-11-13)23-15-5-3-4-14(10-15)22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,20)
InChIKeyTXEZVEFUJMZWGC-UHFFFAOYSA-N
XLogP2.27
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970707
1-methyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969958
1-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120972045
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970488
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
1-methyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166193259
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133318374

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120969728) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is COc1cccc(Oc2ccc(CNC3=NCCN3C)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is TXEZVEFUJMZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-9-8-18-17(21)20-12-13-6-7-16(19-11-13)23-15-5-3-4-14(10-15)22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 312.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).