5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole

C22H25FN2 — CID 123305692

IUPAC5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole
SMILESCCCc1c(CC)cccc1-c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2/c1-4-7-20-17(5-2)8-6-9-21(20)22-14-24-15-25(22)16(3)18-10-12-19(23)13-11-18/h6,8-16H,4-5,7H2,1-3H3
InChIKeyCKEZTIQMFXZXKX-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.81
Rot. Bonds6

About 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole

5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole (PubChem CID 123305692) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole
PubChem CID123305692
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Name5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole
SMILESCCCc1c(CC)cccc1-c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2/c1-4-7-20-17(5-2)8-6-9-21(20)22-14-24-15-25(22)16(3)18-10-12-19(23)13-11-18/h6,8-16H,4-5,7H2,1-3H3
InChIKeyCKEZTIQMFXZXKX-UHFFFAOYSA-N
XLogP5.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one
CID 118230744
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-one
CID 118230742
3-[3-(4-fluorophenyl)butan-2-yl]imidazole-4-carbaldehyde
CID 123265032
4-[1-(5-phenylimidazol-1-yl)ethyl]aniline
CID 116650734
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
5-[1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine
CID 135062797
3-[1-(4-chlorophenyl)ethyl]imidazole-4-carbaldehyde
CID 57092167
(1S)-1-[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]ethanamine
CID 125466541
4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline
CID 116650722

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole?
The IUPAC name of 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole (CID 123305692) is 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole.
What is the SMILES notation for 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole?
The canonical SMILES for 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole is CCCc1c(CC)cccc1-c1cncn1C(C)c1ccc(F)cc1.
What is the InChIKey of 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole?
The InChIKey is CKEZTIQMFXZXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2/c1-4-7-20-17(5-2)8-6-9-21(20)22-14-24-15-25(22)16(3)18-10-12-19(23)13-11-18/h6,8-16H,4-5,7H2,1-3H3.
What are the key properties of 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole?
5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole has a molecular weight of 336.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole is sourced from PubChem (CID 123305692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).