N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

C24H30N4O2 — CID 17006337

About N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 17006337) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
• PubChem CID: 17006337
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C
• InChI: InChI=1S/C24H30N4O2/c1-17(2)24(30)25-14-22-26-20-12-8-9-13-21(20)28(22)16-23(29)27(18(3)4)15-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3,(H,25,30)
• InChIKey: NJGOLELDBUOMFD-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (CID 17006337) is N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.

What is the SMILES notation for N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)C.

What is the InChIKey of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?

The InChIKey is NJGOLELDBUOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17(2)24(30)25-14-22-26-20-12-8-9-13-21(20)28(22)16-23(29)27(18(3)4)15-19-10-6-5-7-11-19/h5-13,17-18H,14-16H2,1-4H3,(H,25,30).

What are the key properties of N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?

N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 406.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 17006337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).