2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide

C29H29F4N3O2 — CID 166844685

About 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide

2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 166844685) has the molecular formula C29H29F4N3O2 and a molecular weight of 527.56 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
• PubChem CID: 166844685
• Molecular Formula: C29H29F4N3O2
• Molecular Weight: 527.56 g/mol
• Exact Mass: 527.22
• IUPAC Name: 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
• SMILES: CCC(F)(F)c1cccc(NC(=O)C2=C(C)NC(c3ccc(OC(F)F)c(-c4c(C)cccc4C)c3)N2)c1
• InChI: InChI=1S/C29H29F4N3O2/c1-5-29(32,33)20-10-7-11-21(15-20)35-27(37)25-18(4)34-26(36-25)19-12-13-23(38-28(30)31)22(14-19)24-16(2)8-6-9-17(24)3/h6-15,26,28,34,36H,5H2,1-4H3,(H,35,37)
• InChIKey: NXNWBBSJWPAIFJ-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 62.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.56
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?

The IUPAC name of 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide (CID 166844685) is 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide.

What is the SMILES notation for 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?

The canonical SMILES for 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide is CCC(F)(F)c1cccc(NC(=O)C2=C(C)NC(c3ccc(OC(F)F)c(-c4c(C)cccc4C)c3)N2)c1.

What is the InChIKey of 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?

The InChIKey is NXNWBBSJWPAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N3O2/c1-5-29(32,33)20-10-7-11-21(15-20)35-27(37)25-18(4)34-26(36-25)19-12-13-23(38-28(30)31)22(14-19)24-16(2)8-6-9-17(24)3/h6-15,26,28,34,36H,5H2,1-4H3,(H,35,37).

What are the key properties of 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide?

2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 527.56 g/mol, XLogP of 7.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 166844685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).