4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C7H12N4O3 — CID 3146916

IUPAC4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(CCO)C2NC(=O)NC21
InChIInChI=1S/C7H12N4O3/c1-10-4-5(9-6(13)8-4)11(2-3-12)7(10)14/h4-5,12H,2-3H2,1H3,(H2,8,9,13)
InChIKeyNNBUQEFIKGGJMH-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.69
Rot. Bonds2

About 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 3146916) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID3146916
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCN1C(=O)N(CCO)C2NC(=O)NC21
InChIInChI=1S/C7H12N4O3/c1-10-4-5(9-6(13)8-4)11(2-3-12)7(10)14/h4-5,12H,2-3H2,1H3,(H2,8,9,13)
InChIKeyNNBUQEFIKGGJMH-UHFFFAOYSA-N
XLogP-1.69
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 3146916) is 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CN1C(=O)N(CCO)C2NC(=O)NC21.
What is the InChIKey of 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is NNBUQEFIKGGJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-10-4-5(9-6(13)8-4)11(2-3-12)7(10)14/h4-5,12H,2-3H2,1H3,(H2,8,9,13).
What are the key properties of 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 200.20 g/mol, XLogP of -1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-6-methyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 3146916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).