2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide

C23H18N4O2 — CID 47060897

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C23H18N4O2/c28-22(26-13-16-7-8-25-21(11-16)27-10-9-24-15-27)12-18-14-29-20-6-5-17-3-1-2-4-19(17)23(18)20/h1-11,14-15H,12-13H2,(H,26,28)
InChIKeyBOWCAKYZBQOJQS-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.03
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 47060897) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID47060897
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1ccnc(-n2ccnc2)c1
InChIInChI=1S/C23H18N4O2/c28-22(26-13-16-7-8-25-21(11-16)27-10-9-24-15-27)12-18-14-29-20-6-5-17-3-1-2-4-19(17)23(18)20/h1-11,14-15H,12-13H2,(H,26,28)
InChIKeyBOWCAKYZBQOJQS-UHFFFAOYSA-N
XLogP4.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)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-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 93234966
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
2-benzo[e][1]benzofuran-1-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18126605
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide (CID 47060897) is 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)NCc1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is BOWCAKYZBQOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22(26-13-16-7-8-25-21(11-16)27-10-9-24-15-27)12-18-14-29-20-6-5-17-3-1-2-4-19(17)23(18)20/h1-11,14-15H,12-13H2,(H,26,28).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 4.03, 5 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-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 47060897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).