1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole

C15H19FN2 — CID 142148555

IUPAC1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole
SMILESCCCCn1c(CC)cnc1-c1cccc(F)c1
InChIInChI=1S/C15H19FN2/c1-3-5-9-18-14(4-2)11-17-15(18)12-7-6-8-13(16)10-12/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyDEEDTTQHZITASI-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.05
Rot. Bonds5

About 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole

1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole (PubChem CID 142148555) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole.

Molecular Properties

Compound Name1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole
PubChem CID142148555
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole
SMILESCCCCn1c(CC)cnc1-c1cccc(F)c1
InChIInChI=1S/C15H19FN2/c1-3-5-9-18-14(4-2)11-17-15(18)12-7-6-8-13(16)10-12/h6-8,10-11H,3-5,9H2,1-2H3
InChIKeyDEEDTTQHZITASI-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(3-fluorophenyl)imidazol-4-yl]methyl]-2-ethylbutan-1-amine
CID 69327239
4-[[[3-butyl-2-(3-fluorophenyl)imidazol-4-yl]methyl-(cyclohexylmethyl)amino]methyl]-N-methylaniline
CID 69326440
N-[[3-butyl-2-(3-fluorophenyl)imidazol-4-yl]methyl]-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylbutan-1-amine
CID 90857501
N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
2-ethyl-5-(3-fluorophenyl)-1-sulfanylpyrrolo[2,3-b]pyridine
CID 71013627
3-(3-fluorophenyl)-5-methylimidazo[1,5-a]pyridine
CID 117142169
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
CID 20721205
1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
CID 175241563
3-(chloromethyl)-4-ethyl-5-(3-fluorophenyl)-1,2,4-triazole
CID 115398189
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
3-(bromomethyl)-5-(3-fluorophenyl)-4-propyl-1,2,4-triazole
CID 115399805
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole?
The IUPAC name of 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole (CID 142148555) is 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole.
What is the SMILES notation for 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole?
The canonical SMILES for 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole is CCCCn1c(CC)cnc1-c1cccc(F)c1.
What is the InChIKey of 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole?
The InChIKey is DEEDTTQHZITASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-5-9-18-14(4-2)11-17-15(18)12-7-6-8-13(16)10-12/h6-8,10-11H,3-5,9H2,1-2H3.
What are the key properties of 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole?
1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole has a molecular weight of 246.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-2-(3-fluorophenyl)imidazole is sourced from PubChem (CID 142148555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).