4,5-dihydroimidazol-1-ylphosphane

C3H7N2P — CID 18356395

IUPAC4,5-dihydroimidazol-1-ylphosphane
SMILESPN1C=NCC1
InChIInChI=1S/C3H7N2P/c6-5-2-1-4-3-5/h3H,1-2,6H2
InChIKeyBTTFGHDZEUQKAT-UHFFFAOYSA-N
MW102.08 g/mol
LogP0.12
Rot. Bonds

About 4,5-dihydroimidazol-1-ylphosphane

4,5-dihydroimidazol-1-ylphosphane (PubChem CID 18356395) has the molecular formula C3H7N2P and a molecular weight of 102.08 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-ylphosphane.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-ylphosphane
PubChem CID18356395
Molecular FormulaC3H7N2P
Molecular Weight102.08 g/mol
Exact Mass102.03
IUPAC Name4,5-dihydroimidazol-1-ylphosphane
SMILESPN1C=NCC1
InChIInChI=1S/C3H7N2P/c6-5-2-1-4-3-5/h3H,1-2,6H2
InChIKeyBTTFGHDZEUQKAT-UHFFFAOYSA-N
XLogP0.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.08
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iodo-imidazoline
CID 57092540
4,5-Dihydroimidazol-1-ylphosphinous acid
CID 69525528
4,5-Dihydroimidazol-3-ide
CID 17958029
CID 53627683
CID 53627683
Copper(1+);4,5-dihydroimidazol-3-ide
CID 69533995
Lithium 4,5-dihydroimidazol-3-ide
CID 140596691
CID 149626030
CID 149626030
Cobalt;4,5-dihydroimidazol-3-ide
CID 171479405
4,5-Dihydroimidazol-3-ide;gold(1+)
CID 174376415
4,5-Dihydroimidazol-3-ide;europium
CID 175735076
4,5-Dihydroimidazol-3-ide;nickel
CID 176654189

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-ylphosphane?
The IUPAC name of 4,5-dihydroimidazol-1-ylphosphane (CID 18356395) is 4,5-dihydroimidazol-1-ylphosphane.
What is the SMILES notation for 4,5-dihydroimidazol-1-ylphosphane?
The canonical SMILES for 4,5-dihydroimidazol-1-ylphosphane is PN1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-ylphosphane?
The InChIKey is BTTFGHDZEUQKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2P/c6-5-2-1-4-3-5/h3H,1-2,6H2.
What are the key properties of 4,5-dihydroimidazol-1-ylphosphane?
4,5-dihydroimidazol-1-ylphosphane has a molecular weight of 102.08 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-ylphosphane is sourced from PubChem (CID 18356395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).