bis(1H-imidazole);molecular hydrogen

C6H10N4 — CID 174658042

IUPACbis(1H-imidazole);molecular hydrogen
SMILES[H][H].c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.H2/c2*1-2-5-3-4-1;/h2*1-3H,(H,4,5);1H
InChIKeyLVXGLLHCBNZPTL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.07
Rot. Bonds

About bis(1H-imidazole);molecular hydrogen

bis(1H-imidazole);molecular hydrogen (PubChem CID 174658042) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is bis(1H-imidazole);molecular hydrogen.

Molecular Properties

Compound Namebis(1H-imidazole);molecular hydrogen
PubChem CID174658042
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Namebis(1H-imidazole);molecular hydrogen
SMILES[H][H].c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.H2/c2*1-2-5-3-4-1;/h2*1-3H,(H,4,5);1H
InChIKeyLVXGLLHCBNZPTL-UHFFFAOYSA-N
XLogP1.07
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bis(1H-imidazole);molecular hydrogen 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 bis(1H-imidazole);molecular hydrogen?
The IUPAC name of bis(1H-imidazole);molecular hydrogen (CID 174658042) is bis(1H-imidazole);molecular hydrogen.
What is the SMILES notation for bis(1H-imidazole);molecular hydrogen?
The canonical SMILES for bis(1H-imidazole);molecular hydrogen is [H][H].c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of bis(1H-imidazole);molecular hydrogen?
The InChIKey is LVXGLLHCBNZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2.H2/c2*1-2-5-3-4-1;/h2*1-3H,(H,4,5);1H.
What are the key properties of bis(1H-imidazole);molecular hydrogen?
bis(1H-imidazole);molecular hydrogen has a molecular weight of 138.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);molecular hydrogen is sourced from PubChem (CID 174658042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).