1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole

C14H21N2O2P — CID 170224240

IUPAC1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole
SMILESCc1ccc2nc(C)n(C(C)(C)OP(C)(C)=O)c2c1
InChIInChI=1S/C14H21N2O2P/c1-10-7-8-12-13(9-10)16(11(2)15-12)14(3,4)18-19(5,6)17/h7-9H,1-6H3
InChIKeyIOLYTFWCYQSNNV-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.90
Rot. Bonds3

About 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole

1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole (PubChem CID 170224240) has the molecular formula C14H21N2O2P and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole
PubChem CID170224240
Molecular FormulaC14H21N2O2P
Molecular Weight280.31 g/mol
Exact Mass280.13
IUPAC Name1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole
SMILESCc1ccc2nc(C)n(C(C)(C)OP(C)(C)=O)c2c1
InChIInChI=1S/C14H21N2O2P/c1-10-7-8-12-13(9-10)16(11(2)15-12)14(3,4)18-19(5,6)17/h7-9H,1-6H3
InChIKeyIOLYTFWCYQSNNV-UHFFFAOYSA-N
XLogP3.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole?
The IUPAC name of 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole (CID 170224240) is 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole?
The canonical SMILES for 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole is Cc1ccc2nc(C)n(C(C)(C)OP(C)(C)=O)c2c1.
What is the InChIKey of 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole?
The InChIKey is IOLYTFWCYQSNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N2O2P/c1-10-7-8-12-13(9-10)16(11(2)15-12)14(3,4)18-19(5,6)17/h7-9H,1-6H3.
What are the key properties of 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole?
1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole has a molecular weight of 280.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethylphosphoryloxypropan-2-yl)-2,6-dimethylbenzimidazole is sourced from PubChem (CID 170224240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).