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

C12H13FN2 — CID 155366804

IUPAC4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
SMILESCCc1cn(Cc2ccccc2F)cn1
InChIInChI=1S/C12H13FN2/c1-2-11-8-15(9-14-11)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3
InChIKeyOPSLKRZVSMBWHN-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.63
Rot. Bonds3

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

4-ethyl-1-[(2-fluorophenyl)methyl]imidazole (PubChem CID 155366804) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
PubChem CID155366804
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
SMILESCCc1cn(Cc2ccccc2F)cn1
InChIInChI=1S/C12H13FN2/c1-2-11-8-15(9-14-11)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3
InChIKeyOPSLKRZVSMBWHN-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719254
4-(bromomethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]imidazole
CID 114204847
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 172850572
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
N-[2-[1-[(5-chloro-2-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 103049573
3-[1-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]propanoic acid
CID 98017221
azane;1-ethyl-2-fluorobenzene
CID 66657049
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106718946
3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-fluorobenzonitrile
CID 106718650

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole?
The IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole (CID 155366804) is 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole?
The canonical SMILES for 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole is CCc1cn(Cc2ccccc2F)cn1.
What is the InChIKey of 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole?
The InChIKey is OPSLKRZVSMBWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-2-11-8-15(9-14-11)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole?
4-ethyl-1-[(2-fluorophenyl)methyl]imidazole has a molecular weight of 204.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 155366804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).