1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one

C27H33N5O — CID 142101813

About 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one

1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one (PubChem CID 142101813) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one
• PubChem CID: 142101813
• Molecular Formula: C27H33N5O
• Molecular Weight: 443.60 g/mol
• Exact Mass: 443.27
• IUPAC Name: 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one
• SMILES: CN/C=C\c1c(C)n(Cc2nc3ccccc3n2CCC(C)C)c(=O)n1Cc1ccccc1
• InChI: InChI=1S/C27H33N5O/c1-20(2)15-17-30-25-13-9-8-12-23(25)29-26(30)19-31-21(3)24(14-16-28-4)32(27(31)33)18-22-10-6-5-7-11-22/h5-14,16,20,28H,15,17-19H2,1-4H3/b16-14-
• InChIKey: RMRGGALDNZTAJW-PEZBUJJGSA-N
• XLogP: 4.64
• TPSA: 56.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.60
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one?

The IUPAC name of 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one (CID 142101813) is 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one.

What is the SMILES notation for 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one?

The canonical SMILES for 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one is CN/C=C\c1c(C)n(Cc2nc3ccccc3n2CCC(C)C)c(=O)n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one?

The InChIKey is RMRGGALDNZTAJW-PEZBUJJGSA-N. The full InChI is InChI=1S/C27H33N5O/c1-20(2)15-17-30-25-13-9-8-12-23(25)29-26(30)19-31-21(3)24(14-16-28-4)32(27(31)33)18-22-10-6-5-7-11-22/h5-14,16,20,28H,15,17-19H2,1-4H3/b16-14-.

What are the key properties of 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one?

1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one has a molecular weight of 443.60 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-methyl-5-[(Z)-2-(methylamino)ethenyl]-3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]imidazol-2-one is sourced from PubChem (CID 142101813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).