bis(1H-imidazol-2-yl)methanone;propylphosphonic acid

C10H15N4O4P — CID 175580950

IUPACbis(1H-imidazol-2-yl)methanone;propylphosphonic acid
SMILESCCCP(=O)(O)O.O=C(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C7H6N4O.C3H9O3P/c12-5(6-8-1-2-9-6)7-10-3-4-11-7;1-2-3-7(4,5)6/h1-4H,(H,8,9)(H,10,11);2-3H2,1H3,(H2,4,5,6)
InChIKeyKVSXWECJMJACGC-UHFFFAOYSA-N
MW286.23 g/mol
LogP0.94
Rot. Bonds4

About bis(1H-imidazol-2-yl)methanone;propylphosphonic acid

bis(1H-imidazol-2-yl)methanone;propylphosphonic acid (PubChem CID 175580950) has the molecular formula C10H15N4O4P and a molecular weight of 286.23 g/mol. Its IUPAC name is bis(1H-imidazol-2-yl)methanone;propylphosphonic acid.

Molecular Properties

Compound Namebis(1H-imidazol-2-yl)methanone;propylphosphonic acid
PubChem CID175580950
Molecular FormulaC10H15N4O4P
Molecular Weight286.23 g/mol
Exact Mass286.08
IUPAC Namebis(1H-imidazol-2-yl)methanone;propylphosphonic acid
SMILESCCCP(=O)(O)O.O=C(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C7H6N4O.C3H9O3P/c12-5(6-8-1-2-9-6)7-10-3-4-11-7;1-2-3-7(4,5)6/h1-4H,(H,8,9)(H,10,11);2-3H2,1H3,(H2,4,5,6)
InChIKeyKVSXWECJMJACGC-UHFFFAOYSA-N
XLogP0.94
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1H-imidazol-2-yl)methanone;oxalyl dichloride
CID 19366628
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(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
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but-1-yne;methane;N-methyl-1H-imidazole-2-carboxamide
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2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
CID 112731515
1H-imidazole-2-carboxylic acid;tetradecylphosphane
CID 173201174
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152
1H-imidazol-2-yl(pyrazin-2-yl)methanone
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2-sulfanylethyl 1H-imidazole-2-carboxylate
CID 168757936
(Z)-3-amino-1-(1H-imidazol-2-yl)prop-2-en-1-one
CID 142610359

Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazol-2-yl)methanone;propylphosphonic acid?
The IUPAC name of bis(1H-imidazol-2-yl)methanone;propylphosphonic acid (CID 175580950) is bis(1H-imidazol-2-yl)methanone;propylphosphonic acid.
What is the SMILES notation for bis(1H-imidazol-2-yl)methanone;propylphosphonic acid?
The canonical SMILES for bis(1H-imidazol-2-yl)methanone;propylphosphonic acid is CCCP(=O)(O)O.O=C(c1ncc[nH]1)c1ncc[nH]1.
What is the InChIKey of bis(1H-imidazol-2-yl)methanone;propylphosphonic acid?
The InChIKey is KVSXWECJMJACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.C3H9O3P/c12-5(6-8-1-2-9-6)7-10-3-4-11-7;1-2-3-7(4,5)6/h1-4H,(H,8,9)(H,10,11);2-3H2,1H3,(H2,4,5,6).
What are the key properties of bis(1H-imidazol-2-yl)methanone;propylphosphonic acid?
bis(1H-imidazol-2-yl)methanone;propylphosphonic acid has a molecular weight of 286.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-2-yl)methanone;propylphosphonic acid is sourced from PubChem (CID 175580950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).