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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).