N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide

C25H24N4O3 — CID 1109829

IUPACN-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CC(=O)NCc2ccccc2)c2ccccc21)NCc1ccccc1
InChIInChI=1S/C25H24N4O3/c30-23(26-15-19-9-3-1-4-10-19)17-28-21-13-7-8-14-22(21)29(25(28)32)18-24(31)27-16-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,26,30)(H,27,31)
InChIKeyBAWAKXHWSZUGTA-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.44
Rot. Bonds8

About N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide

N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide (PubChem CID 1109829) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
PubChem CID1109829
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CC(=O)NCc2ccccc2)c2ccccc21)NCc1ccccc1
InChIInChI=1S/C25H24N4O3/c30-23(26-15-19-9-3-1-4-10-19)17-28-21-13-7-8-14-22(21)29(25(28)32)18-24(31)27-16-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,26,30)(H,27,31)
InChIKeyBAWAKXHWSZUGTA-UHFFFAOYSA-N
XLogP2.44
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide (CID 1109829) is N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide is O=C(Cn1c(=O)n(CC(=O)NCc2ccccc2)c2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
The InChIKey is BAWAKXHWSZUGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23(26-15-19-9-3-1-4-10-19)17-28-21-13-7-8-14-22(21)29(25(28)32)18-24(31)27-16-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,26,30)(H,27,31).
What are the key properties of N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide?
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 1109829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).