N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C24H24N4O4 — CID 24624905

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H24N4O4/c1-27(15-23(29)25-14-19-10-7-13-31-19)24(30)16-28-21-12-6-5-11-20(21)26-22(28)17-32-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3,(H,25,29)
InChIKeyQLGHBCOZVBNLJV-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.98
Rot. Bonds9

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 24624905) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID24624905
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H24N4O4/c1-27(15-23(29)25-14-19-10-7-13-31-19)24(30)16-28-21-12-6-5-11-20(21)26-22(28)17-32-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3,(H,25,29)
InChIKeyQLGHBCOZVBNLJV-UHFFFAOYSA-N
XLogP2.98
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 24624905) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is CN(CC(=O)NCc1ccco1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is QLGHBCOZVBNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-27(15-23(29)25-14-19-10-7-13-31-19)24(30)16-28-21-12-6-5-11-20(21)26-22(28)17-32-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3,(H,25,29).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 24624905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).