N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide

C10H17N5O3 — CID 11957271

IUPACN-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C10H17N5O3/c1-2-3-4-11-6(16)5-15-8-7(13-10(15)18)12-9(17)14-8/h7-8H,2-5H2,1H3,(H,11,16)(H,13,18)(H2,12,14,17)
InChIKeyOSVXJQYKSDKJLK-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.11
Rot. Bonds5

About N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide

N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide (PubChem CID 11957271) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
PubChem CID11957271
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C10H17N5O3/c1-2-3-4-11-6(16)5-15-8-7(13-10(15)18)12-9(17)14-8/h7-8H,2-5H2,1H3,(H,11,16)(H,13,18)(H2,12,14,17)
InChIKeyOSVXJQYKSDKJLK-UHFFFAOYSA-N
XLogP-1.11
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The IUPAC name of N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide (CID 11957271) is N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The canonical SMILES for N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide is CCCCNC(=O)CN1C(=O)NC2NC(=O)NC21.
What is the InChIKey of N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The InChIKey is OSVXJQYKSDKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-2-3-4-11-6(16)5-15-8-7(13-10(15)18)12-9(17)14-8/h7-8H,2-5H2,1H3,(H,11,16)(H,13,18)(H2,12,14,17).
What are the key properties of N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide is sourced from PubChem (CID 11957271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).