4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

C19H38N6O6 — CID 159210984

IUPAC4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SMILESC1=NCCN1.CC(CO)(CO)NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(C)(CO)CO
InChIInChI=1S/C16H32N4O6.C3H6N2/c1-13(2,11(25)17-15(5,7-21)8-22)19-20-14(3,4)12(26)18-16(6,9-23)10-24;1-2-5-3-4-1/h21-24H,7-10H2,1-6H3,(H,17,25)(H,18,26);3H,1-2H2,(H,4,5)/b20-19+;
InChIKeyKQMJIOXZHVJUPC-RZLHGTIFSA-N
MW446.55 g/mol
LogP-1.67
Rot. Bonds10

About 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide (PubChem CID 159210984) has the molecular formula C19H38N6O6 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
PubChem CID159210984
Molecular FormulaC19H38N6O6
Molecular Weight446.55 g/mol
Exact Mass446.29
IUPAC Name4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SMILESC1=NCCN1.CC(CO)(CO)NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(C)(CO)CO
InChIInChI=1S/C16H32N4O6.C3H6N2/c1-13(2,11(25)17-15(5,7-21)8-22)19-20-14(3,4)12(26)18-16(6,9-23)10-24;1-2-5-3-4-1/h21-24H,7-10H2,1-6H3,(H,17,25)(H,18,26);3H,1-2H2,(H,4,5)/b20-19+;
InChIKeyKQMJIOXZHVJUPC-RZLHGTIFSA-N
XLogP-1.67
TPSA188.23 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 5-1.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

bis[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazene;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 159840839
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 161201056
N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide
CID 89195106
azane;4,5-dihydro-1H-imidazole;methyl hydrogen sulfate
CID 174760435
N-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042054
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
CID 107033569
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
2-amino-2-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64548894
2-cyano-2-[[2-cyano-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxopropan-2-yl]diazenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 88553786
2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
CID 82110016
2-methyl-2-[[2-methyl-1-oxo-1-(1,1,4-trihydroxybutan-2-ylamino)propan-2-yl]diazenyl]-N-(1,1,4-trihydroxybutan-2-yl)propanamide
CID 90354128

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The IUPAC name of 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide (CID 159210984) is 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The canonical SMILES for 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide is C1=NCCN1.CC(CO)(CO)NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(C)(CO)CO.
What is the InChIKey of 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
The InChIKey is KQMJIOXZHVJUPC-RZLHGTIFSA-N. The full InChI is InChI=1S/C16H32N4O6.C3H6N2/c1-13(2,11(25)17-15(5,7-21)8-22)19-20-14(3,4)12(26)18-16(6,9-23)10-24;1-2-5-3-4-1/h21-24H,7-10H2,1-6H3,(H,17,25)(H,18,26);3H,1-2H2,(H,4,5)/b20-19+;.
What are the key properties of 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide?
4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide has a molecular weight of 446.55 g/mol, XLogP of -1.67, 10 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[[1-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide is sourced from PubChem (CID 159210984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).