N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide

C37H37F2N3O2 — CID 175376789

About N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide

N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 175376789) has the molecular formula C37H37F2N3O2 and a molecular weight of 593.72 g/mol. Its IUPAC name is N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
• PubChem CID: 175376789
• Molecular Formula: C37H37F2N3O2
• Molecular Weight: 593.72 g/mol
• Exact Mass: 593.29
• IUPAC Name: N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
• SMILES: CCC(F)(F)c1cccc(NC(=O)c2nc(-c3c(CCc4ccccc4)cc(OC)c(-c4ccccc4C)c3C)[nH]c2C)c1
• InChI: InChI=1S/C37H37F2N3O2/c1-6-37(38,39)28-16-12-17-29(22-28)41-36(43)34-25(4)40-35(42-34)32-24(3)33(30-18-11-10-13-23(30)2)31(44-5)21-27(32)20-19-26-14-8-7-9-15-26/h7-18,21-22H,6,19-20H2,1-5H3,(H,40,42)(H,41,43)
• InChIKey: SZPMAZYVUUJJLM-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.72
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 175376789) is N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.

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

The canonical SMILES for N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is CCC(F)(F)c1cccc(NC(=O)c2nc(-c3c(CCc4ccccc4)cc(OC)c(-c4ccccc4C)c3C)[nH]c2C)c1.

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

The InChIKey is SZPMAZYVUUJJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F2N3O2/c1-6-37(38,39)28-16-12-17-29(22-28)41-36(43)34-25(4)40-35(42-34)32-24(3)33(30-18-11-10-13-23(30)2)31(44-5)21-27(32)20-19-26-14-8-7-9-15-26/h7-18,21-22H,6,19-20H2,1-5H3,(H,40,42)(H,41,43).

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

N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 593.72 g/mol, XLogP of 9.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).