1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole

C16H15N3O3 — CID 25208082

IUPAC1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
SMILESO=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-19(21)15(11-14-7-4-10-22-14)16-17-8-9-18(16)12-13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2/b15-11-
InChIKeyJSSOMKPXBVILQR-PTNGSMBKSA-N
MW297.31 g/mol
LogP2.81
Rot. Bonds5

About 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole

1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole (PubChem CID 25208082) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
PubChem CID25208082
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole
SMILESO=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccccc1
InChIInChI=1S/C16H15N3O3/c20-19(21)15(11-14-7-4-10-22-14)16-17-8-9-18(16)12-13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2/b15-11-
InChIKeyJSSOMKPXBVILQR-PTNGSMBKSA-N
XLogP2.81
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole (CID 25208082) is 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole is O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
The InChIKey is JSSOMKPXBVILQR-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-19(21)15(11-14-7-4-10-22-14)16-17-8-9-18(16)12-13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2/b15-11-.
What are the key properties of 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole?
1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole has a molecular weight of 297.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-4,5-dihydroimidazole is sourced from PubChem (CID 25208082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).