ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine

C18H26N4O — CID 142517353

IUPACethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine
SMILESC/C=C(\N=C\C(C)OCc1cncn1C)c1ccccn1.CC
InChIInChI=1S/C16H20N4O.C2H6/c1-4-15(16-7-5-6-8-18-16)19-9-13(2)21-11-14-10-17-12-20(14)3;1-2/h4-10,12-13H,11H2,1-3H3;1-2H3/b15-4-,19-9+;
InChIKeyKHUJTIAULGHAFT-GUGYOJMYSA-N
MW314.43 g/mol
LogP3.88
Rot. Bonds6

About ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine

ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine (PubChem CID 142517353) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine.

Molecular Properties

Compound Nameethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine
PubChem CID142517353
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Nameethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine
SMILESC/C=C(\N=C\C(C)OCc1cncn1C)c1ccccn1.CC
InChIInChI=1S/C16H20N4O.C2H6/c1-4-15(16-7-5-6-8-18-16)19-9-13(2)21-11-14-10-17-12-20(14)3;1-2/h4-10,12-13H,11H2,1-3H3;1-2H3/b15-4-,19-9+;
InChIKeyKHUJTIAULGHAFT-GUGYOJMYSA-N
XLogP3.88
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117192815
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
N-[1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 142517442
[2-[(3-methylimidazol-4-yl)methoxy]pyrimidin-4-yl]methanol
CID 118157182
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
5-[(2,3-dimethylphenoxy)methyl]-1-methylimidazole
CID 103741840
(1R)-1-[3-chloro-4-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanol
CID 113389943
1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
CID 106938738
N-[[3-chloro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115954826
(E)-N-[1-(1-methylpiperidin-4-yl)oxyethyl]-2-pyridin-2-ylbut-2-en-1-amine
CID 142517637

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine?
The IUPAC name of ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine (CID 142517353) is ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine.
What is the SMILES notation for ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine?
The canonical SMILES for ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine is C/C=C(\N=C\C(C)OCc1cncn1C)c1ccccn1.CC.
What is the InChIKey of ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine?
The InChIKey is KHUJTIAULGHAFT-GUGYOJMYSA-N. The full InChI is InChI=1S/C16H20N4O.C2H6/c1-4-15(16-7-5-6-8-18-16)19-9-13(2)21-11-14-10-17-12-20(14)3;1-2/h4-10,12-13H,11H2,1-3H3;1-2H3/b15-4-,19-9+;.
What are the key properties of ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine?
ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine has a molecular weight of 314.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3-methylimidazol-4-yl)methoxy]-N-[(Z)-1-pyridin-2-ylprop-1-enyl]propan-1-imine is sourced from PubChem (CID 142517353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).