[diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate

C19H19N2O2P — CID 100939715

IUPAC[diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate
SMILESCC(=O)OC(c1nccn1C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N2O2P/c1-15(22)23-19(18-20-13-14-21(18)2)24(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,19H,1-2H3
InChIKeyBTFPGXNZOJGWQV-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.11
Rot. Bonds5

About [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate

[diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate (PubChem CID 100939715) has the molecular formula C19H19N2O2P and a molecular weight of 338.35 g/mol. Its IUPAC name is [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate.

Molecular Properties

Compound Name[diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate
PubChem CID100939715
Molecular FormulaC19H19N2O2P
Molecular Weight338.35 g/mol
Exact Mass338.12
IUPAC Name[diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate
SMILESCC(=O)OC(c1nccn1C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N2O2P/c1-15(22)23-19(18-20-13-14-21(18)2)24(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,19H,1-2H3
InChIKeyBTFPGXNZOJGWQV-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1-methylimidazol-2-yl)-phenylmethyl] acetate
CID 20614420
S-[(S)-(1-methylimidazol-2-yl)-phenylmethyl] N,N-dimethylcarbamothioate
CID 139191053
(2R)-2-methoxy-2-(1-methylimidazol-2-yl)acetic acid
CID 167014806
(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297
3-(1-methylimidazol-2-yl)-4-phenylbutanoic acid
CID 82385749
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
methyl (E)-3-[(1-methylimidazol-2-yl)-phenylmethoxy]prop-2-enoate
CID 46193535
2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
CID 110473236
2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 79349483
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609

Frequently Asked Questions

What is the IUPAC name of [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate?
The IUPAC name of [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate (CID 100939715) is [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate.
What is the SMILES notation for [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate?
The canonical SMILES for [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate is CC(=O)OC(c1nccn1C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate?
The InChIKey is BTFPGXNZOJGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2P/c1-15(22)23-19(18-20-13-14-21(18)2)24(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,19H,1-2H3.
What are the key properties of [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate?
[diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate has a molecular weight of 338.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenylphosphanyl-(1-methylimidazol-2-yl)methyl] acetate is sourced from PubChem (CID 100939715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).