N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C29H32N4O2 — CID 16977725

About N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 16977725) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• PubChem CID: 16977725
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
• SMILES: Cc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C(C)C)c1
• InChI: InChI=1S/C29H32N4O2/c1-21(2)32(19-23-11-5-4-6-12-23)28(34)20-33-26-15-8-7-14-25(26)31-27(33)16-17-30-29(35)24-13-9-10-22(3)18-24/h4-15,18,21H,16-17,19-20H2,1-3H3,(H,30,35)
• InChIKey: VXUMOGYLHRZHQD-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The IUPAC name of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 16977725) is N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

What is the SMILES notation for N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The canonical SMILES for N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C(C)C)c1.

What is the InChIKey of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

The InChIKey is VXUMOGYLHRZHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-21(2)32(19-23-11-5-4-6-12-23)28(34)20-33-26-15-8-7-14-25(26)31-27(33)16-17-30-29(35)24-13-9-10-22(3)18-24/h4-15,18,21H,16-17,19-20H2,1-3H3,(H,30,35).

What are the key properties of N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?

N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 468.60 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 16977725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).