2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole

C12H19FN2 — CID 126847949

IUPAC2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole
SMILESCCc1nccn1CC1(F)CCCCC1
InChIInChI=1S/C12H19FN2/c1-2-11-14-8-9-15(11)10-12(13)6-4-3-5-7-12/h8-9H,2-7,10H2,1H3
InChIKeyDBAZORRQPPHHPC-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.12
Rot. Bonds3

About 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole

2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole (PubChem CID 126847949) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole
PubChem CID126847949
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole
SMILESCCc1nccn1CC1(F)CCCCC1
InChIInChI=1S/C12H19FN2/c1-2-11-14-8-9-15(11)10-12(13)6-4-3-5-7-12/h8-9H,2-7,10H2,1H3
InChIKeyDBAZORRQPPHHPC-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65010298
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2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
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1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
(2-ethylimidazol-1-yl)methanamine
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1-[(1-ethylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744578
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 118780248
1-(2-ethylimidazol-1-yl)cycloheptane-1-carboxylic acid
CID 114990239
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole?
The IUPAC name of 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole (CID 126847949) is 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole?
The canonical SMILES for 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole is CCc1nccn1CC1(F)CCCCC1.
What is the InChIKey of 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole?
The InChIKey is DBAZORRQPPHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-11-14-8-9-15(11)10-12(13)6-4-3-5-7-12/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole?
2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole has a molecular weight of 210.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole is sourced from PubChem (CID 126847949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).