N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine

C12H25N3O6P2 — CID 10948632

IUPACN-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ncc[nH]1)P(=O)(OCC)OCC
InChIInChI=1S/C12H25N3O6P2/c1-5-18-22(16,19-6-2)12(15-11-13-9-10-14-11)23(17,20-7-3)21-8-4/h9-10,12H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyODAAYCZRLKRORM-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.64
Rot. Bonds12

About N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine

N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine (PubChem CID 10948632) has the molecular formula C12H25N3O6P2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine
PubChem CID10948632
Molecular FormulaC12H25N3O6P2
Molecular Weight369.30 g/mol
Exact Mass369.12
IUPAC NameN-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine
SMILESCCOP(=O)(OCC)C(Nc1ncc[nH]1)P(=O)(OCC)OCC
InChIInChI=1S/C12H25N3O6P2/c1-5-18-22(16,19-6-2)12(15-11-13-9-10-14-11)23(17,20-7-3)21-8-4/h9-10,12H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyODAAYCZRLKRORM-UHFFFAOYSA-N
XLogP3.64
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-methyl-1H-imidazol-3-ium diethyl phosphate
CID 53316406
1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-1-ium
CID 5254988
hydroxy-[2-(1H-imidazol-3-ium-3-yl)-1-phosphonoethyl]phosphinate
CID 71720142
[(1H-imidazol-2-ylamino)-phosphonomethyl]phosphonic acid
CID 11097213
1,3-Diethylimidazolium diethylphosphate
CID 87142684
Diphosphoimidazole
CID 54323734
1H-imidazol-5-ylphosphonic acid
CID 19742813
Phosphoric acid--1H-imidazole (1/1)
CID 22065567
Methylimidazolium dihydrogen phosphate
CID 45376396
Imidazolylphosphonic acid
CID 53757679
[hydroxy(1H-imidazol-2-yloxy)phosphoryl] acetate
CID 57323950
Phosphoimidazole
CID 57348866

Frequently Asked Questions

What is the IUPAC name of N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine?
The IUPAC name of N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine (CID 10948632) is N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine is CCOP(=O)(OCC)C(Nc1ncc[nH]1)P(=O)(OCC)OCC.
What is the InChIKey of N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine?
The InChIKey is ODAAYCZRLKRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O6P2/c1-5-18-22(16,19-6-2)12(15-11-13-9-10-14-11)23(17,20-7-3)21-8-4/h9-10,12H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine?
N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine has a molecular weight of 369.30 g/mol, XLogP of 3.64, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 10948632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).