2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole

C16H20FN3 — CID 163346092

IUPAC2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
SMILESCCc1nccn1CC1CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3/c1-2-16-18-7-8-20(16)12-14-10-19(11-14)9-13-3-5-15(17)6-4-13/h3-8,14H,2,9-12H2,1H3
InChIKeyZDXJJROPBQTHTF-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.72
Rot. Bonds5

About 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole

2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole (PubChem CID 163346092) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
PubChem CID163346092
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
SMILESCCc1nccn1CC1CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H20FN3/c1-2-16-18-7-8-20(16)12-14-10-19(11-14)9-13-3-5-15(17)6-4-13/h3-8,14H,2,9-12H2,1H3
InChIKeyZDXJJROPBQTHTF-UHFFFAOYSA-N
XLogP2.72
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346161
1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-[[1-[(4-bromophenyl)methyl]azetidin-3-yl]methyl]-2-methylimidazole
CID 155942481
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
(3S,4S)-1-[[4-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]methyl]-4-(3-fluorophenoxy)pyrrolidin-3-ol
CID 175659098
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile
CID 163349021
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
CID 163346437
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 90493958

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole?
The IUPAC name of 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole (CID 163346092) is 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole?
The canonical SMILES for 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole is CCc1nccn1CC1CN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole?
The InChIKey is ZDXJJROPBQTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-16-18-7-8-20(16)12-14-10-19(11-14)9-13-3-5-15(17)6-4-13/h3-8,14H,2,9-12H2,1H3.
What are the key properties of 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole?
2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole has a molecular weight of 273.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole is sourced from PubChem (CID 163346092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).