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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
CID 47060897
1-naphthalen-2-yl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 78832324
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472
2-benzo[e][1]benzofuran-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021114
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-(1,3-benzothiazol-2-ylmethyl)acetamide
CID 18110573
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521

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).