1,4-dihydroimidazol-5-one;1H-imidazole

C6H8N4O — CID 158343135

IUPAC1,4-dihydroimidazol-5-one;1H-imidazole
SMILESO=C1CN=CN1.c1c[nH]cn1
InChIInChI=1S/C3H4N2O.C3H4N2/c6-3-1-4-2-5-3;1-2-5-3-4-1/h2H,1H2,(H,4,5,6);1-3H,(H,4,5)
InChIKeyGRJZTLNAFMJCEJ-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.45
Rot. Bonds

About 1,4-dihydroimidazol-5-one;1H-imidazole

1,4-dihydroimidazol-5-one;1H-imidazole (PubChem CID 158343135) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 1,4-dihydroimidazol-5-one;1H-imidazole.

Molecular Properties

Compound Name1,4-dihydroimidazol-5-one;1H-imidazole
PubChem CID158343135
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name1,4-dihydroimidazol-5-one;1H-imidazole
SMILESO=C1CN=CN1.c1c[nH]cn1
InChIInChI=1S/C3H4N2O.C3H4N2/c6-3-1-4-2-5-3;1-2-5-3-4-1/h2H,1H2,(H,4,5,6);1-3H,(H,4,5)
InChIKeyGRJZTLNAFMJCEJ-UHFFFAOYSA-N
XLogP-0.45
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroimidazol-5-one;1H-imidazole?
The IUPAC name of 1,4-dihydroimidazol-5-one;1H-imidazole (CID 158343135) is 1,4-dihydroimidazol-5-one;1H-imidazole.
What is the SMILES notation for 1,4-dihydroimidazol-5-one;1H-imidazole?
The canonical SMILES for 1,4-dihydroimidazol-5-one;1H-imidazole is O=C1CN=CN1.c1c[nH]cn1.
What is the InChIKey of 1,4-dihydroimidazol-5-one;1H-imidazole?
The InChIKey is GRJZTLNAFMJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O.C3H4N2/c6-3-1-4-2-5-3;1-2-5-3-4-1/h2H,1H2,(H,4,5,6);1-3H,(H,4,5).
What are the key properties of 1,4-dihydroimidazol-5-one;1H-imidazole?
1,4-dihydroimidazol-5-one;1H-imidazole has a molecular weight of 152.16 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazol-5-one;1H-imidazole is sourced from PubChem (CID 158343135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).