1,3-di(imidazol-1-yl)propan-2-ol

C9H12N4O — CID 14851552

IUPAC1,3-di(imidazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnc1)Cn1ccnc1
InChIInChI=1S/C9H12N4O/c14-9(5-12-3-1-10-7-12)6-13-4-2-11-8-13/h1-4,7-9,14H,5-6H2
InChIKeyGZZKHMACHPDFFG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.14
Rot. Bonds4

About 1,3-di(imidazol-1-yl)propan-2-ol

1,3-di(imidazol-1-yl)propan-2-ol (PubChem CID 14851552) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1,3-di(imidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-di(imidazol-1-yl)propan-2-ol
PubChem CID14851552
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1,3-di(imidazol-1-yl)propan-2-ol
SMILESOC(Cn1ccnc1)Cn1ccnc1
InChIInChI=1S/C9H12N4O/c14-9(5-12-3-1-10-7-12)6-13-4-2-11-8-13/h1-4,7-9,14H,5-6H2
InChIKeyGZZKHMACHPDFFG-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-di(imidazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-di(imidazol-1-yl)propan-2-ol?
The IUPAC name of 1,3-di(imidazol-1-yl)propan-2-ol (CID 14851552) is 1,3-di(imidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,3-di(imidazol-1-yl)propan-2-ol?
The canonical SMILES for 1,3-di(imidazol-1-yl)propan-2-ol is OC(Cn1ccnc1)Cn1ccnc1.
What is the InChIKey of 1,3-di(imidazol-1-yl)propan-2-ol?
The InChIKey is GZZKHMACHPDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9(5-12-3-1-10-7-12)6-13-4-2-11-8-13/h1-4,7-9,14H,5-6H2.
What are the key properties of 1,3-di(imidazol-1-yl)propan-2-ol?
1,3-di(imidazol-1-yl)propan-2-ol has a molecular weight of 192.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(imidazol-1-yl)propan-2-ol is sourced from PubChem (CID 14851552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).