4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate

C8H16N4O2 — CID 45120951

IUPAC4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate
SMILESCC1(C)NC=C(c2cnc[nH]2)N1.O.O
InChIInChI=1S/C8H12N4.2H2O/c1-8(2)11-4-7(12-8)6-3-9-5-10-6;;/h3-5,11-12H,1-2H3,(H,9,10);2*1H2
InChIKeyQTKMOFHGLQLTTJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.01
Rot. Bonds1

About 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate

4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate (PubChem CID 45120951) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate
PubChem CID45120951
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate
SMILESCC1(C)NC=C(c2cnc[nH]2)N1.O.O
InChIInChI=1S/C8H12N4.2H2O/c1-8(2)11-4-7(12-8)6-3-9-5-10-6;;/h3-5,11-12H,1-2H3,(H,9,10);2*1H2
InChIKeyQTKMOFHGLQLTTJ-UHFFFAOYSA-N
XLogP-1.01
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate 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 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate?
The IUPAC name of 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate (CID 45120951) is 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate?
The canonical SMILES for 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate is CC1(C)NC=C(c2cnc[nH]2)N1.O.O.
What is the InChIKey of 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate?
The InChIKey is QTKMOFHGLQLTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2H2O/c1-8(2)11-4-7(12-8)6-3-9-5-10-6;;/h3-5,11-12H,1-2H3,(H,9,10);2*1H2.
What are the key properties of 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate?
4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate has a molecular weight of 200.24 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dihydroimidazole;dihydrate is sourced from PubChem (CID 45120951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).