1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole

C20H29FN4 — CID 157073987

IUPAC1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole
SMILESCCCCN1C=CN(c2cc(F)cc(N3C=CN(CCCC)C3)c2)C1
InChIInChI=1S/C20H29FN4/c1-3-5-7-22-9-11-24(16-22)19-13-18(21)14-20(15-19)25-12-10-23(17-25)8-6-4-2/h9-15H,3-8,16-17H2,1-2H3
InChIKeyMHVZOOUEGVRODM-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.53
Rot. Bonds8

About 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole

1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole (PubChem CID 157073987) has the molecular formula C20H29FN4 and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole
PubChem CID157073987
Molecular FormulaC20H29FN4
Molecular Weight344.48 g/mol
Exact Mass344.24
IUPAC Name1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole
SMILESCCCCN1C=CN(c2cc(F)cc(N3C=CN(CCCC)C3)c2)C1
InChIInChI=1S/C20H29FN4/c1-3-5-7-22-9-11-24(16-22)19-13-18(21)14-20(15-19)25-12-10-23(17-25)8-6-4-2/h9-15H,3-8,16-17H2,1-2H3
InChIKeyMHVZOOUEGVRODM-UHFFFAOYSA-N
XLogP4.53
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-octyl-3-phenyl-2H-imidazole
CID 69387944
1-butyl-3-(4-ethoxyphenyl)-2H-imidazole;hydrobromide
CID 173052685
1-hexyl-3-(4-methylphenyl)-2H-imidazole
CID 123548074
1-heptyl-3-(4-methylphenyl)-2H-imidazole
CID 174947129
1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide
CID 173052781
1-(4-bromophenyl)-3-hexyl-2H-imidazole
CID 71246087
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole?
The IUPAC name of 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole (CID 157073987) is 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole.
What is the SMILES notation for 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole?
The canonical SMILES for 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole is CCCCN1C=CN(c2cc(F)cc(N3C=CN(CCCC)C3)c2)C1.
What is the InChIKey of 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole?
The InChIKey is MHVZOOUEGVRODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4/c1-3-5-7-22-9-11-24(16-22)19-13-18(21)14-20(15-19)25-12-10-23(17-25)8-6-4-2/h9-15H,3-8,16-17H2,1-2H3.
What are the key properties of 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole?
1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole has a molecular weight of 344.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-(3-butyl-2H-imidazol-1-yl)-5-fluorophenyl]-2H-imidazole is sourced from PubChem (CID 157073987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).