2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide

C29H25ClF3N3O — CID 175376788

About 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide

2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 175376788) has the molecular formula C29H25ClF3N3O and a molecular weight of 523.99 g/mol. Its IUPAC name is 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide
• PubChem CID: 175376788
• Molecular Formula: C29H25ClF3N3O
• Molecular Weight: 523.99 g/mol
• Exact Mass: 523.16
• IUPAC Name: 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide
• SMILES: Cc1ccccc1-c1c(F)cc(Cl)c(-c2nc(C(=O)Nc3cccc(C(F)(F)C4CC4)c3)c(C)[nH]2)c1C
• InChI: InChI=1S/C29H25ClF3N3O/c1-15-7-4-5-10-21(15)24-16(2)25(22(30)14-23(24)31)27-34-17(3)26(36-27)28(37)35-20-9-6-8-19(13-20)29(32,33)18-11-12-18/h4-10,13-14,18H,11-12H2,1-3H3,(H,34,36)(H,35,37)
• InChIKey: IGVMJDXIOMPHTE-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.99
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide?

The IUPAC name of 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 175376788) is 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide.

What is the SMILES notation for 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide?

The canonical SMILES for 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1ccccc1-c1c(F)cc(Cl)c(-c2nc(C(=O)Nc3cccc(C(F)(F)C4CC4)c3)c(C)[nH]2)c1C.

What is the InChIKey of 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide?

The InChIKey is IGVMJDXIOMPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClF3N3O/c1-15-7-4-5-10-21(15)24-16(2)25(22(30)14-23(24)31)27-34-17(3)26(36-27)28(37)35-20-9-6-8-19(13-20)29(32,33)18-11-12-18/h4-10,13-14,18H,11-12H2,1-3H3,(H,34,36)(H,35,37).

What are the key properties of 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide?

2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 523.99 g/mol, XLogP of 8.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).