ethane;1-(2-fluoro-4-methylphenyl)imidazole

C12H15FN2 — CID 143815689

IUPACethane;1-(2-fluoro-4-methylphenyl)imidazole
SMILESCC.Cc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C10H9FN2.C2H6/c1-8-2-3-10(9(11)6-8)13-5-4-12-7-13;1-2/h2-7H,1H3;1-2H3
InChIKeyHCRYQUWUHKCAFC-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.35
Rot. Bonds1

About ethane;1-(2-fluoro-4-methylphenyl)imidazole

ethane;1-(2-fluoro-4-methylphenyl)imidazole (PubChem CID 143815689) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is ethane;1-(2-fluoro-4-methylphenyl)imidazole.

Molecular Properties

Compound Nameethane;1-(2-fluoro-4-methylphenyl)imidazole
PubChem CID143815689
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Nameethane;1-(2-fluoro-4-methylphenyl)imidazole
SMILESCC.Cc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C10H9FN2.C2H6/c1-8-2-3-10(9(11)6-8)13-5-4-12-7-13;1-2/h2-7H,1H3;1-2H3
InChIKeyHCRYQUWUHKCAFC-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)pyrrole
CID 19759552
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
CID 155472277
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
3-fluoro-4-imidazol-1-ylbenzenesulfinic acid
CID 68530217
1-[2-fluoro-4-(isocyanatomethyl)phenyl]imidazole
CID 117308930
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxoacetic acid
CID 117339835
1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 86984381
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
CID 117344197
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 60557245
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111566196

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-fluoro-4-methylphenyl)imidazole?
The IUPAC name of ethane;1-(2-fluoro-4-methylphenyl)imidazole (CID 143815689) is ethane;1-(2-fluoro-4-methylphenyl)imidazole.
What is the SMILES notation for ethane;1-(2-fluoro-4-methylphenyl)imidazole?
The canonical SMILES for ethane;1-(2-fluoro-4-methylphenyl)imidazole is CC.Cc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of ethane;1-(2-fluoro-4-methylphenyl)imidazole?
The InChIKey is HCRYQUWUHKCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.C2H6/c1-8-2-3-10(9(11)6-8)13-5-4-12-7-13;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;1-(2-fluoro-4-methylphenyl)imidazole?
ethane;1-(2-fluoro-4-methylphenyl)imidazole has a molecular weight of 206.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-fluoro-4-methylphenyl)imidazole is sourced from PubChem (CID 143815689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).