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

C12H19N5O3 — CID 645817

IUPACN-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
SMILESO=C(CN1C(=O)NC2NC(=O)NC21)NC1CCCCC1
InChIInChI=1S/C12H19N5O3/c18-8(13-7-4-2-1-3-5-7)6-17-10-9(15-12(17)20)14-11(19)16-10/h7,9-10H,1-6H2,(H,13,18)(H,15,20)(H2,14,16,19)
InChIKeyZXZXAGIWPBAOER-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.57
Rot. Bonds3

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

N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide (PubChem CID 645817) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
PubChem CID645817
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide
SMILESO=C(CN1C(=O)NC2NC(=O)NC21)NC1CCCCC1
InChIInChI=1S/C12H19N5O3/c18-8(13-7-4-2-1-3-5-7)6-17-10-9(15-12(17)20)14-11(19)16-10/h7,9-10H,1-6H2,(H,13,18)(H,15,20)(H2,14,16,19)
InChIKeyZXZXAGIWPBAOER-UHFFFAOYSA-N
XLogP-0.57
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide 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 N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide (CID 645817) is N-cyclohexyl-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-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide is O=C(CN1C(=O)NC2NC(=O)NC21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
The InChIKey is ZXZXAGIWPBAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c18-8(13-7-4-2-1-3-5-7)6-17-10-9(15-12(17)20)14-11(19)16-10/h7,9-10H,1-6H2,(H,13,18)(H,15,20)(H2,14,16,19).
What are the key properties of N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide?
N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide has a molecular weight of 281.32 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)acetamide is sourced from PubChem (CID 645817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).