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

C9H9N2P — CID 20732162

IUPAC[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
SMILESP/C=C/c1nc2ccccc2[nH]1
InChIInChI=1S/C9H9N2P/c12-6-5-9-10-7-3-1-2-4-8(7)11-9/h1-6H,12H2,(H,10,11)/b6-5+
InChIKeyLDTZKOBDNBOEOO-AATRIKPKSA-N
MW176.16 g/mol
LogP2.41
Rot. Bonds1

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

[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane (PubChem CID 20732162) has the molecular formula C9H9N2P and a molecular weight of 176.16 g/mol. Its IUPAC name is [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane.

Molecular Properties

Compound Name[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
PubChem CID20732162
Molecular FormulaC9H9N2P
Molecular Weight176.16 g/mol
Exact Mass176.05
IUPAC Name[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
SMILESP/C=C/c1nc2ccccc2[nH]1
InChIInChI=1S/C9H9N2P/c12-6-5-9-10-7-3-1-2-4-8(7)11-9/h1-6H,12H2,(H,10,11)/b6-5+
InChIKeyLDTZKOBDNBOEOO-AATRIKPKSA-N
XLogP2.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
CID 23453413
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
1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine
CID 137179609
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide
CID 751752

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane?
The IUPAC name of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane (CID 20732162) is [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane.
What is the SMILES notation for [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane?
The canonical SMILES for [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane is P/C=C/c1nc2ccccc2[nH]1.
What is the InChIKey of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane?
The InChIKey is LDTZKOBDNBOEOO-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9N2P/c12-6-5-9-10-7-3-1-2-4-8(7)11-9/h1-6H,12H2,(H,10,11)/b6-5+.
What are the key properties of [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane?
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane has a molecular weight of 176.16 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane is sourced from PubChem (CID 20732162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).