3,3-di(imidazol-1-yl)propan-1-ol

C9H12N4O — CID 138964517

IUPAC3,3-di(imidazol-1-yl)propan-1-ol
SMILESOCCC(n1ccnc1)n1ccnc1
InChIInChI=1S/C9H12N4O/c14-6-1-9(12-4-2-10-7-12)13-5-3-11-8-13/h2-5,7-9,14H,1,6H2
InChIKeyRNJJIFVJIDKWET-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.51
Rot. Bonds4

About 3,3-di(imidazol-1-yl)propan-1-ol

3,3-di(imidazol-1-yl)propan-1-ol (PubChem CID 138964517) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3,3-di(imidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3,3-di(imidazol-1-yl)propan-1-ol
PubChem CID138964517
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3,3-di(imidazol-1-yl)propan-1-ol
SMILESOCCC(n1ccnc1)n1ccnc1
InChIInChI=1S/C9H12N4O/c14-6-1-9(12-4-2-10-7-12)13-5-3-11-8-13/h2-5,7-9,14H,1,6H2
InChIKeyRNJJIFVJIDKWET-UHFFFAOYSA-N
XLogP0.51
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(imidazol-1-yl)propan-1-ol?
The IUPAC name of 3,3-di(imidazol-1-yl)propan-1-ol (CID 138964517) is 3,3-di(imidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3,3-di(imidazol-1-yl)propan-1-ol?
The canonical SMILES for 3,3-di(imidazol-1-yl)propan-1-ol is OCCC(n1ccnc1)n1ccnc1.
What is the InChIKey of 3,3-di(imidazol-1-yl)propan-1-ol?
The InChIKey is RNJJIFVJIDKWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-6-1-9(12-4-2-10-7-12)13-5-3-11-8-13/h2-5,7-9,14H,1,6H2.
What are the key properties of 3,3-di(imidazol-1-yl)propan-1-ol?
3,3-di(imidazol-1-yl)propan-1-ol has a molecular weight of 192.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(imidazol-1-yl)propan-1-ol is sourced from PubChem (CID 138964517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).