2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C24H20N4O2 — CID 18126605

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C24H20N4O2/c29-23(26-12-17-5-7-18(8-6-17)13-28-16-25-15-27-28)11-20-14-30-22-10-9-19-3-1-2-4-21(19)24(20)22/h1-10,14-16H,11-13H2,(H,26,29)
InChIKeyYJJXSCYQCCVHEK-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.08
Rot. Bonds6

About 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 18126605) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID18126605
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C24H20N4O2/c29-23(26-12-17-5-7-18(8-6-17)13-28-16-25-15-27-28)11-20-14-30-22-10-9-19-3-1-2-4-21(19)24(20)22/h1-10,14-16H,11-13H2,(H,26,29)
InChIKeyYJJXSCYQCCVHEK-UHFFFAOYSA-N
XLogP4.08
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 18126605) is 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is YJJXSCYQCCVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(26-12-17-5-7-18(8-6-17)13-28-16-25-15-27-28)11-20-14-30-22-10-9-19-3-1-2-4-21(19)24(20)22/h1-10,14-16H,11-13H2,(H,26,29).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18126605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).