2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium

C9H12N2O3P+ — CID 70879958

IUPAC2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
SMILESO[P+](O)(O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C9H12N2O3P/c12-15(13,14)6-5-9-10-7-3-1-2-4-8(7)11-9/h1-4,12-14H,5-6H2,(H,10,11)/q+1
InChIKeyPTUNJRYRCAHGEJ-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.84
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium

2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium (PubChem CID 70879958) has the molecular formula C9H12N2O3P+ and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
PubChem CID70879958
Molecular FormulaC9H12N2O3P+
Molecular Weight227.18 g/mol
Exact Mass227.06
IUPAC Name2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
SMILESO[P+](O)(O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C9H12N2O3P/c12-15(13,14)6-5-9-10-7-3-1-2-4-8(7)11-9/h1-4,12-14H,5-6H2,(H,10,11)/q+1
InChIKeyPTUNJRYRCAHGEJ-UHFFFAOYSA-N
XLogP0.84
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 87640795
CID 87640795
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
4-(1H-benzimidazol-2-yl)butanenitrile
CID 12683083
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-docosyl-1H-benzimidazole
CID 141189761
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
[(2R)-4-(1H-benzimidazol-2-yl)-1-methoxy-1-oxobutan-2-yl]azanium
CID 6923317
CID 58296357
CID 58296357
2-amino-5-(1H-benzimidazol-2-yl)pentanenitrile
CID 150592787
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium?
The IUPAC name of 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium (CID 70879958) is 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium is O[P+](O)(O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium?
The InChIKey is PTUNJRYRCAHGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3P/c12-15(13,14)6-5-9-10-7-3-1-2-4-8(7)11-9/h1-4,12-14H,5-6H2,(H,10,11)/q+1.
What are the key properties of 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium?
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium has a molecular weight of 227.18 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium is sourced from PubChem (CID 70879958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).