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

C21H22F2N2O — CID 51049916

IUPAC5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H22F2N2O/c1-3-4-8-19-21(16-7-5-6-9-20(16)26-2)24-14-25(19)13-15-10-11-17(22)18(23)12-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyBJQNIZSGUBKFQE-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.23
Rot. Bonds7

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

5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole (PubChem CID 51049916) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole.

Molecular Properties

Compound Name5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
PubChem CID51049916
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
SMILESCCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H22F2N2O/c1-3-4-8-19-21(16-7-5-6-9-20(16)26-2)24-14-25(19)13-15-10-11-17(22)18(23)12-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3
InChIKeyBJQNIZSGUBKFQE-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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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The IUPAC name of 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole (CID 51049916) is 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole.
What is the SMILES notation for 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The canonical SMILES for 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole is CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(F)c(F)c1.
What is the InChIKey of 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
The InChIKey is BJQNIZSGUBKFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-3-4-8-19-21(16-7-5-6-9-20(16)26-2)24-14-25(19)13-15-10-11-17(22)18(23)12-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3.
What are the key properties of 5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole?
5-butyl-1-[(3,4-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-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole is sourced from PubChem (CID 51049916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).