[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid

C9H9N2O3P — CID 23453413

IUPAC[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/c1nc2ccccc2[nH]1
InChIInChI=1S/C9H9N2O3P/c12-15(13,14)6-5-9-10-7-3-1-2-4-8(7)11-9/h1-6H,(H,10,11)(H2,12,13,14)/b6-5+
InChIKeyIZPZTDSDYKSZLW-AATRIKPKSA-N
MW224.16 g/mol
LogP1.71
Rot. Bonds2

About [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid

[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid (PubChem CID 23453413) has the molecular formula C9H9N2O3P and a molecular weight of 224.16 g/mol. Its IUPAC name is [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
PubChem CID23453413
Molecular FormulaC9H9N2O3P
Molecular Weight224.16 g/mol
Exact Mass224.04
IUPAC Name[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/c1nc2ccccc2[nH]1
InChIInChI=1S/C9H9N2O3P/c12-15(13,14)6-5-9-10-7-3-1-2-4-8(7)11-9/h1-6H,(H,10,11)(H2,12,13,14)/b6-5+
InChIKeyIZPZTDSDYKSZLW-AATRIKPKSA-N
XLogP1.71
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide
CID 751752
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
1H-benzimidazol-2-yl dihydrogen phosphate
CID 174491341
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
CID 12820843
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-benzimidazole
CID 132567925
4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
CID 67417408

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid?
The IUPAC name of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid (CID 23453413) is [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid.
What is the SMILES notation for [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid?
The canonical SMILES for [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid is O=P(O)(O)/C=C/c1nc2ccccc2[nH]1.
What is the InChIKey of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid?
The InChIKey is IZPZTDSDYKSZLW-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9N2O3P/c12-15(13,14)6-5-9-10-7-3-1-2-4-8(7)11-9/h1-6H,(H,10,11)(H2,12,13,14)/b6-5+.
What are the key properties of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid?
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid has a molecular weight of 224.16 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid is sourced from PubChem (CID 23453413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).