1,3-dimethyl-N-phosphanylimidazol-2-imine

C5H10N3P — CID 166858787

IUPAC1,3-dimethyl-N-phosphanylimidazol-2-imine
SMILESCn1ccn(C)c1=NP
InChIInChI=1S/C5H10N3P/c1-7-3-4-8(2)5(7)6-9/h3-4H,9H2,1-2H3
InChIKeyKEPXDCBRFCPKOM-UHFFFAOYSA-N
MW143.13 g/mol
LogP0.05
Rot. Bonds

About 1,3-dimethyl-N-phosphanylimidazol-2-imine

1,3-dimethyl-N-phosphanylimidazol-2-imine (PubChem CID 166858787) has the molecular formula C5H10N3P and a molecular weight of 143.13 g/mol. Its IUPAC name is 1,3-dimethyl-N-phosphanylimidazol-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-phosphanylimidazol-2-imine
PubChem CID166858787
Molecular FormulaC5H10N3P
Molecular Weight143.13 g/mol
Exact Mass143.06
IUPAC Name1,3-dimethyl-N-phosphanylimidazol-2-imine
SMILESCn1ccn(C)c1=NP
InChIInChI=1S/C5H10N3P/c1-7-3-4-8(2)5(7)6-9/h3-4H,9H2,1-2H3
InChIKeyKEPXDCBRFCPKOM-UHFFFAOYSA-N
XLogP0.05
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-phosphanylimidazol-2-imine?
The IUPAC name of 1,3-dimethyl-N-phosphanylimidazol-2-imine (CID 166858787) is 1,3-dimethyl-N-phosphanylimidazol-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-phosphanylimidazol-2-imine?
The canonical SMILES for 1,3-dimethyl-N-phosphanylimidazol-2-imine is Cn1ccn(C)c1=NP.
What is the InChIKey of 1,3-dimethyl-N-phosphanylimidazol-2-imine?
The InChIKey is KEPXDCBRFCPKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3P/c1-7-3-4-8(2)5(7)6-9/h3-4H,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-phosphanylimidazol-2-imine?
1,3-dimethyl-N-phosphanylimidazol-2-imine has a molecular weight of 143.13 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-phosphanylimidazol-2-imine is sourced from PubChem (CID 166858787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).