1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol

C14H15N3O3 — CID 71740229

IUPAC1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-11(18)10-16-13(15-9-14(16)17(19)20)8-7-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3/b8-7+
InChIKeyPGAXTKXKXXHVHR-BQYQJAHWSA-N
MW273.29 g/mol
LogP2.34
Rot. Bonds5

About 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol

1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol (PubChem CID 71740229) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol
PubChem CID71740229
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol
SMILESCC(O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-11(18)10-16-13(15-9-14(16)17(19)20)8-7-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3/b8-7+
InChIKeyPGAXTKXKXXHVHR-BQYQJAHWSA-N
XLogP2.34
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol (CID 71740229) is 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol is CC(O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1.
What is the InChIKey of 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol?
The InChIKey is PGAXTKXKXXHVHR-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-11(18)10-16-13(15-9-14(16)17(19)20)8-7-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3/b8-7+.
What are the key properties of 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol?
1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol has a molecular weight of 273.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-nitro-2-[(E)-2-phenylethenyl]imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 71740229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).