1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole

C21H19N5O2 — CID 138387562

IUPAC1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole
SMILESCOc1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1Cn1cncn1
InChIInChI=1S/C21H19N5O2/c1-27-20-5-3-15(8-17(20)10-25-14-22-13-24-25)21-23-6-7-26(21)19-4-2-16-11-28-12-18(16)9-19/h2-9,13-14H,10-12H2,1H3
InChIKeyNYLOEOQZAHDTLC-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.22
Rot. Bonds5

About 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole

1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole (PubChem CID 138387562) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole
PubChem CID138387562
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole
SMILESCOc1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1Cn1cncn1
InChIInChI=1S/C21H19N5O2/c1-27-20-5-3-15(8-17(20)10-25-14-22-13-24-25)21-23-6-7-26(21)19-4-2-16-11-28-12-18(16)9-19/h2-9,13-14H,10-12H2,1H3
InChIKeyNYLOEOQZAHDTLC-UHFFFAOYSA-N
XLogP3.22
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole (CID 138387562) is 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole is COc1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1Cn1cncn1.
What is the InChIKey of 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole?
The InChIKey is NYLOEOQZAHDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-20-5-3-15(8-17(20)10-25-14-22-13-24-25)21-23-6-7-26(21)19-4-2-16-11-28-12-18(16)9-19/h2-9,13-14H,10-12H2,1H3.
What are the key properties of 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole?
1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole has a molecular weight of 373.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]-2-methoxyphenyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 138387562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).