2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid

C4H14N2O8P2 — CID 154961544

IUPAC2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid
SMILESCC1=NCCN1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C4H8N2.2H3O4P/c1-4-5-2-3-6-4;2*1-5(2,3)4/h2-3H2,1H3,(H,5,6);2*(H3,1,2,3,4)
InChIKeyFXGAOLOGWFUNEC-UHFFFAOYSA-N
MW280.11 g/mol
LogP-1.85
Rot. Bonds

About 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid

2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid (PubChem CID 154961544) has the molecular formula C4H14N2O8P2 and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid
PubChem CID154961544
Molecular FormulaC4H14N2O8P2
Molecular Weight280.11 g/mol
Exact Mass280.02
IUPAC Name2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid
SMILESCC1=NCCN1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C4H8N2.2H3O4P/c1-4-5-2-3-6-4;2*1-5(2,3)4/h2-3H2,1H3,(H,5,6);2*(H3,1,2,3,4)
InChIKeyFXGAOLOGWFUNEC-UHFFFAOYSA-N
XLogP-1.85
TPSA179.91 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.11
LogP ≤ 5-1.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4,5-dihydro-1H-imidazole
CID 10798
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2-methyl-4,5-dihydro-1H-imidazole;1-methylindole
CID 67729957
acetic acid;4,5-dihydro-1H-imidazol-2-amine
CID 174455956
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
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4,5-dihydro-1H-imidazole-2-carboxamide
CID 1382042
4,5-dihydro-1H-imidazol-2-ylmethanol;methanesulfonic acid
CID 6713427
N-diethoxyphosphoryl-4,5-dihydro-1H-imidazol-2-amine
CID 155323745
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54602799
(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one
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CID 57057923
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CID 58801114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid?
The IUPAC name of 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid (CID 154961544) is 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid.
What is the SMILES notation for 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid?
The canonical SMILES for 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid is CC1=NCCN1.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid?
The InChIKey is FXGAOLOGWFUNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.2H3O4P/c1-4-5-2-3-6-4;2*1-5(2,3)4/h2-3H2,1H3,(H,5,6);2*(H3,1,2,3,4).
What are the key properties of 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid?
2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid has a molecular weight of 280.11 g/mol, XLogP of -1.85, 0 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid is sourced from PubChem (CID 154961544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).