1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole

C13H19FN2O — CID 144950624

IUPAC1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole
SMILESC/C=C\c1nc(C)cn1CC1(F)CCOCC1
InChIInChI=1S/C13H19FN2O/c1-3-4-12-15-11(2)9-16(12)10-13(14)5-7-17-8-6-13/h3-4,9H,5-8,10H2,1-2H3/b4-3-
InChIKeyNJICRWIQMGCGNA-ARJAWSKDSA-N
MW238.31 g/mol
LogP2.74
Rot. Bonds3

About 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole

1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole (PubChem CID 144950624) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole
PubChem CID144950624
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole
SMILESC/C=C\c1nc(C)cn1CC1(F)CCOCC1
InChIInChI=1S/C13H19FN2O/c1-3-4-12-15-11(2)9-16(12)10-13(14)5-7-17-8-6-13/h3-4,9H,5-8,10H2,1-2H3/b4-3-
InChIKeyNJICRWIQMGCGNA-ARJAWSKDSA-N
XLogP2.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
methyl 2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956042
Ethane;2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
CID 172585348
2-Butan-2-yl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
CID 172585428
1-(Oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
CID 172585982
N-[[4-(1,1-difluoroethyl)oxan-4-yl]methyl]-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 166308372
2-Ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
CID 172585349
(R)-(1-ethyl-4-methylimidazol-2-yl)-(oxan-4-yl)methanamine
CID 117672076
1-[1,5-dimethyl-2-(oxan-4-yl)imidazol-4-yl]-N-methylmethanimine
CID 123163605
1,5-Dimethyl-2-(oxan-4-yl)imidazole
CID 123851428
1-Ethyl-5-methyl-2-(oxan-4-yl)imidazole
CID 130382152

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole?
The IUPAC name of 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole (CID 144950624) is 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole.
What is the SMILES notation for 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole?
The canonical SMILES for 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole is C/C=C\c1nc(C)cn1CC1(F)CCOCC1.
What is the InChIKey of 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole?
The InChIKey is NJICRWIQMGCGNA-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-4-12-15-11(2)9-16(12)10-13(14)5-7-17-8-6-13/h3-4,9H,5-8,10H2,1-2H3/b4-3-.
What are the key properties of 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole?
1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole has a molecular weight of 238.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorooxan-4-yl)methyl]-4-methyl-2-[(Z)-prop-1-enyl]imidazole is sourced from PubChem (CID 144950624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).