[1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid

C21H39N3O2Si2 — CID 70534673

IUPAC[1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid
SMILESCC1(NC(=O)O)N([Si](C)(C)C(C)(C)C)c2ccccc2N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H39N3O2Si2/c1-19(2,3)27(8,9)23-16-14-12-13-15-17(16)24(21(23,7)22-18(25)26)28(10,11)20(4,5)6/h12-15,22H,1-11H3,(H,25,26)
InChIKeyUBUBIAOOGJRXNO-UHFFFAOYSA-N
MW421.73 g/mol
LogP6.26
Rot. Bonds3

About [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid

[1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid (PubChem CID 70534673) has the molecular formula C21H39N3O2Si2 and a molecular weight of 421.73 g/mol. Its IUPAC name is [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid
PubChem CID70534673
Molecular FormulaC21H39N3O2Si2
Molecular Weight421.73 g/mol
Exact Mass421.26
IUPAC Name[1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid
SMILESCC1(NC(=O)O)N([Si](C)(C)C(C)(C)C)c2ccccc2N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H39N3O2Si2/c1-19(2,3)27(8,9)23-16-14-12-13-15-17(16)24(21(23,7)22-18(25)26)28(10,11)20(4,5)6/h12-15,22H,1-11H3,(H,25,26)
InChIKeyUBUBIAOOGJRXNO-UHFFFAOYSA-N
XLogP6.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.73
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid?
The IUPAC name of [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid (CID 70534673) is [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid?
The canonical SMILES for [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid is CC1(NC(=O)O)N([Si](C)(C)C(C)(C)C)c2ccccc2N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid?
The InChIKey is UBUBIAOOGJRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2Si2/c1-19(2,3)27(8,9)23-16-14-12-13-15-17(16)24(21(23,7)22-18(25)26)28(10,11)20(4,5)6/h12-15,22H,1-11H3,(H,25,26).
What are the key properties of [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid?
[1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid has a molecular weight of 421.73 g/mol, XLogP of 6.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis[tert-butyl(dimethyl)silyl]-2-methylbenzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 70534673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).