5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole

C21H22F2N2O — CID 51049901

IUPAC5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(F)c1F
InChIInChI=1S/C21H22F2N2O/c1-3-4-11-18-21(16-9-5-6-12-19(16)26-2)24-14-25(18)13-15-8-7-10-17(22)20(15)23/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyHDBULGGAEDAGQU-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.23
Rot. Bonds7

About 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole

5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole (PubChem CID 51049901) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole.

Molecular Properties

Compound Name5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
PubChem CID51049901
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(F)c1F
InChIInChI=1S/C21H22F2N2O/c1-3-4-11-18-21(16-9-5-6-12-19(16)26-2)24-14-25(18)13-15-8-7-10-17(22)20(15)23/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyHDBULGGAEDAGQU-UHFFFAOYSA-N
XLogP5.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-propylimidazole
CID 51049834
5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 51049916
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 50985924
5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
CID 56588110
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300724
5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300726
4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
CID 53300715
5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole
CID 50985943
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
1,2-difluoro-3-(5-methoxypentyl)benzene;ethane;bis(1-methyl-2-pentoxybenzene)
CID 143283138
5-butyl-1-cyclohexyl-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 56588106
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The IUPAC name of 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole (CID 51049901) is 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole.
What is the SMILES notation for 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The canonical SMILES for 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole is CCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(F)c1F.
What is the InChIKey of 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The InChIKey is HDBULGGAEDAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-3-4-11-18-21(16-9-5-6-12-19(16)26-2)24-14-25(18)13-15-8-7-10-17(22)20(15)23/h5-10,12,14H,3-4,11,13H2,1-2H3.
What are the key properties of 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole has a molecular weight of 356.42 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole is sourced from PubChem (CID 51049901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).