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

C16H17FN4O — CID 120970707

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN4O/c1-21-8-7-18-16(21)20-11-12-5-6-15(19-10-12)22-14-4-2-3-13(17)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,20)
InChIKeyMMMGLGNPZWXNNT-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.40
Rot. Bonds4

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

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970707) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970707
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C16H17FN4O/c1-21-8-7-18-16(21)20-11-12-5-6-15(19-10-12)22-14-4-2-3-13(17)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,20)
InChIKeyMMMGLGNPZWXNNT-UHFFFAOYSA-N
XLogP2.40
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969728
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969603
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
CID 133482546
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
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylsulfonyl-2-nitroaniline
CID 133393864
1-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970488

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970707) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MMMGLGNPZWXNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-21-8-7-18-16(21)20-11-12-5-6-15(19-10-12)22-14-4-2-3-13(17)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 300.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).