3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane

C10H14N2O3Si — CID 70659054

IUPAC3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
SMILESO[Si](O)(O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N2O3Si/c13-16(14,15)7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13-15H,3,6-7H2,(H,11,12)
InChIKeyAFBCMNCDMJSKEM-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.41
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane

3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane (PubChem CID 70659054) has the molecular formula C10H14N2O3Si and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
PubChem CID70659054
Molecular FormulaC10H14N2O3Si
Molecular Weight238.32 g/mol
Exact Mass238.08
IUPAC Name3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
SMILESO[Si](O)(O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N2O3Si/c13-16(14,15)7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13-15H,3,6-7H2,(H,11,12)
InChIKeyAFBCMNCDMJSKEM-UHFFFAOYSA-N
XLogP0.41
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
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
CID 87640795
CID 87640795
4-(1H-benzimidazol-2-yl)butanenitrile
CID 12683083
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
CID 54246993
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369
tetrakis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);tetrakis(cobalt(2+));ethanol;octaacetate
CID 139070067

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane?
The IUPAC name of 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane (CID 70659054) is 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane is O[Si](O)(O)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane?
The InChIKey is AFBCMNCDMJSKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3Si/c13-16(14,15)7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13-15H,3,6-7H2,(H,11,12).
What are the key properties of 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane?
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane has a molecular weight of 238.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane is sourced from PubChem (CID 70659054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).