(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole

C19H22N2OSi — CID 140839537

IUPAC(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole
SMILESC[C@H]1N(C)C=CN1c1ccc2c(c1)Oc1ccccc1[Si]2(C)C
InChIInChI=1S/C19H22N2OSi/c1-14-20(2)11-12-21(14)15-9-10-19-17(13-15)22-16-7-5-6-8-18(16)23(19,3)4/h5-14H,1-4H3/t14-/m0/s1
InChIKeyDCCCLNPBCPZKCU-AWEZNQCLSA-N
MW322.48 g/mol
LogP3.18
Rot. Bonds1

About (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole

(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole (PubChem CID 140839537) has the molecular formula C19H22N2OSi and a molecular weight of 322.48 g/mol. Its IUPAC name is (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole
PubChem CID140839537
Molecular FormulaC19H22N2OSi
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole
SMILESC[C@H]1N(C)C=CN1c1ccc2c(c1)Oc1ccccc1[Si]2(C)C
InChIInChI=1S/C19H22N2OSi/c1-14-20(2)11-12-21(14)15-9-10-19-17(13-15)22-16-7-5-6-8-18(16)23(19,3)4/h5-14H,1-4H3/t14-/m0/s1
InChIKeyDCCCLNPBCPZKCU-AWEZNQCLSA-N
XLogP3.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole?
The IUPAC name of (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole (CID 140839537) is (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole?
The canonical SMILES for (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole is C[C@H]1N(C)C=CN1c1ccc2c(c1)Oc1ccccc1[Si]2(C)C.
What is the InChIKey of (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole?
The InChIKey is DCCCLNPBCPZKCU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2OSi/c1-14-20(2)11-12-21(14)15-9-10-19-17(13-15)22-16-7-5-6-8-18(16)23(19,3)4/h5-14H,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole?
(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole has a molecular weight of 322.48 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 140839537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).