benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate

C13H16N3O2P — CID 134422292

IUPACbenzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate
SMILESCCNc1cnc(PC(=O)OCc2ccccc2)[nH]1
InChIInChI=1S/C13H16N3O2P/c1-2-14-11-8-15-12(16-11)19-13(17)18-9-10-6-4-3-5-7-10/h3-8,14,19H,2,9H2,1H3,(H,15,16)
InChIKeyRFQZOYQMBHXRQQ-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.48
Rot. Bonds6

About benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate

benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate (PubChem CID 134422292) has the molecular formula C13H16N3O2P and a molecular weight of 277.26 g/mol. Its IUPAC name is benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate.

Molecular Properties

Compound Namebenzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate
PubChem CID134422292
Molecular FormulaC13H16N3O2P
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Namebenzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate
SMILESCCNc1cnc(PC(=O)OCc2ccccc2)[nH]1
InChIInChI=1S/C13H16N3O2P/c1-2-14-11-8-15-12(16-11)19-13(17)18-9-10-6-4-3-5-7-10/h3-8,14,19H,2,9H2,1H3,(H,15,16)
InChIKeyRFQZOYQMBHXRQQ-UHFFFAOYSA-N
XLogP2.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl methylphosphanylformate
CID 146418354
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N,N-dimethylcarbamate
CID 12963450
2-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 165499329
benzyl N-(5-formyl-1H-imidazol-2-yl)-N-methylcarbamate
CID 123325800
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
benzyl carbonochloridate
CID 10387
benzyl acetate
CID 8785
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
benzyl 3,3,4-trimethylpentanoate
CID 162413973

Frequently Asked Questions

What is the IUPAC name of benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate?
The IUPAC name of benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate (CID 134422292) is benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate.
What is the SMILES notation for benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate?
The canonical SMILES for benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate is CCNc1cnc(PC(=O)OCc2ccccc2)[nH]1.
What is the InChIKey of benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate?
The InChIKey is RFQZOYQMBHXRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N3O2P/c1-2-14-11-8-15-12(16-11)19-13(17)18-9-10-6-4-3-5-7-10/h3-8,14,19H,2,9H2,1H3,(H,15,16).
What are the key properties of benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate?
benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate has a molecular weight of 277.26 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [5-(ethylamino)-1H-imidazol-2-yl]phosphanylformate is sourced from PubChem (CID 134422292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).