[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane

C13H19IN2OSi — CID 70112124

IUPAC[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane
SMILESCCOC(c1nc2ccc(I)cc2[nH]1)[Si](C)(C)C
InChIInChI=1S/C13H19IN2OSi/c1-5-17-13(18(2,3)4)12-15-10-7-6-9(14)8-11(10)16-12/h6-8,13H,5H2,1-4H3,(H,15,16)
InChIKeyWBLQXSOWMKUALN-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.12
Rot. Bonds4

About [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane

[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane (PubChem CID 70112124) has the molecular formula C13H19IN2OSi and a molecular weight of 374.30 g/mol. Its IUPAC name is [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane
PubChem CID70112124
Molecular FormulaC13H19IN2OSi
Molecular Weight374.30 g/mol
Exact Mass374.03
IUPAC Name[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane
SMILESCCOC(c1nc2ccc(I)cc2[nH]1)[Si](C)(C)C
InChIInChI=1S/C13H19IN2OSi/c1-5-17-13(18(2,3)4)12-15-10-7-6-9(14)8-11(10)16-12/h6-8,13H,5H2,1-4H3,(H,15,16)
InChIKeyWBLQXSOWMKUALN-UHFFFAOYSA-N
XLogP4.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol
CID 174054342
2-butan-2-yl-6-iodo-1H-benzimidazole
CID 176683377
N-butyl-6-iodo-1H-benzimidazol-2-amine
CID 162670767
6-iodo-1H-benzimidazol-2-amine
CID 60835496
6-iodo-2-(trichloromethyl)-1H-benzimidazole
CID 23131927
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
tert-butyl-[4-[ethoxy-(6-ethoxy-1H-benzimidazol-2-yl)methyl]phenoxy]-dimethylsilane
CID 71294561
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979

Frequently Asked Questions

What is the IUPAC name of [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane?
The IUPAC name of [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane (CID 70112124) is [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane.
What is the SMILES notation for [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane?
The canonical SMILES for [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane is CCOC(c1nc2ccc(I)cc2[nH]1)[Si](C)(C)C.
What is the InChIKey of [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane?
The InChIKey is WBLQXSOWMKUALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2OSi/c1-5-17-13(18(2,3)4)12-15-10-7-6-9(14)8-11(10)16-12/h6-8,13H,5H2,1-4H3,(H,15,16).
What are the key properties of [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane?
[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane has a molecular weight of 374.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane is sourced from PubChem (CID 70112124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).