2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol

C5H10N3OP — CID 18721945

IUPAC2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol
SMILESOCCc1cnc(NP)[nH]1
InChIInChI=1S/C5H10N3OP/c9-2-1-4-3-6-5(7-4)8-10/h3,9H,1-2,10H2,(H2,6,7,8)
InChIKeyWJGAKOWEWWVEIN-UHFFFAOYSA-N
MW159.13 g/mol
LogP0.15
Rot. Bonds3

About 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol

2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol (PubChem CID 18721945) has the molecular formula C5H10N3OP and a molecular weight of 159.13 g/mol. Its IUPAC name is 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol
PubChem CID18721945
Molecular FormulaC5H10N3OP
Molecular Weight159.13 g/mol
Exact Mass159.06
IUPAC Name2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol
SMILESOCCc1cnc(NP)[nH]1
InChIInChI=1S/C5H10N3OP/c9-2-1-4-3-6-5(7-4)8-10/h3,9H,1-2,10H2,(H2,6,7,8)
InChIKeyWJGAKOWEWWVEIN-UHFFFAOYSA-N
XLogP0.15
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 50.15
H-Bond Donors ≤ 53
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 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol?
The IUPAC name of 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol (CID 18721945) is 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol is OCCc1cnc(NP)[nH]1.
What is the InChIKey of 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol?
The InChIKey is WJGAKOWEWWVEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3OP/c9-2-1-4-3-6-5(7-4)8-10/h3,9H,1-2,10H2,(H2,6,7,8).
What are the key properties of 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol?
2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol has a molecular weight of 159.13 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phosphanylamino)-1H-imidazol-5-yl]ethanol is sourced from PubChem (CID 18721945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).