[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol

C14H22N2O2Si — CID 174054342

IUPAC[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol
SMILESCCOC(c1nc2ccc(CO)cc2[nH]1)[Si](C)(C)C
InChIInChI=1S/C14H22N2O2Si/c1-5-18-14(19(2,3)4)13-15-11-7-6-10(9-17)8-12(11)16-13/h6-8,14,17H,5,9H2,1-4H3,(H,15,16)
InChIKeyRQTTUFIEPLKTKS-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.01
Rot. Bonds5

About [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol

[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol (PubChem CID 174054342) has the molecular formula C14H22N2O2Si and a molecular weight of 278.43 g/mol. Its IUPAC name is [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol
PubChem CID174054342
Molecular FormulaC14H22N2O2Si
Molecular Weight278.43 g/mol
Exact Mass278.15
IUPAC Name[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol
SMILESCCOC(c1nc2ccc(CO)cc2[nH]1)[Si](C)(C)C
InChIInChI=1S/C14H22N2O2Si/c1-5-18-14(19(2,3)4)13-15-11-7-6-10(9-17)8-12(11)16-13/h6-8,14,17H,5,9H2,1-4H3,(H,15,16)
InChIKeyRQTTUFIEPLKTKS-UHFFFAOYSA-N
XLogP3.01
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy-(6-iodo-1H-benzimidazol-2-yl)methyl]-trimethylsilane
CID 70112124
tert-butyl N-[1-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
CID 70229286
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
CID 69170903
CID 69170903
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 66602165
(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine
CID 86699046
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101

Frequently Asked Questions

What is the IUPAC name of [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol (CID 174054342) is [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol is CCOC(c1nc2ccc(CO)cc2[nH]1)[Si](C)(C)C.
What is the InChIKey of [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol?
The InChIKey is RQTTUFIEPLKTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2Si/c1-5-18-14(19(2,3)4)13-15-11-7-6-10(9-17)8-12(11)16-13/h6-8,14,17H,5,9H2,1-4H3,(H,15,16).
What are the key properties of [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol?
[2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol has a molecular weight of 278.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethoxy(trimethylsilyl)methyl]-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 174054342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).