4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide

C15H24N6O2 — CID 171985850

IUPAC4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide
SMILESCCC/C(C)=N\NC(=O)c1nc[nH]c1C(=O)N/N=C(/C)CCC
InChIInChI=1S/C15H24N6O2/c1-5-7-10(3)18-20-14(22)12-13(17-9-16-12)15(23)21-19-11(4)8-6-2/h9H,5-8H2,1-4H3,(H,16,17)(H,20,22)(H,21,23)/b18-10-,19-11-
InChIKeyMCJMKKHPXQVVLG-BJPQZVBLSA-N
MW320.40 g/mol
LogP2.22
Rot. Bonds8

About 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide

4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide (PubChem CID 171985850) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide
PubChem CID171985850
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide
SMILESCCC/C(C)=N\NC(=O)c1nc[nH]c1C(=O)N/N=C(/C)CCC
InChIInChI=1S/C15H24N6O2/c1-5-7-10(3)18-20-14(22)12-13(17-9-16-12)15(23)21-19-11(4)8-6-2/h9H,5-8H2,1-4H3,(H,16,17)(H,20,22)(H,21,23)/b18-10-,19-11-
InChIKeyMCJMKKHPXQVVLG-BJPQZVBLSA-N
XLogP2.22
TPSA111.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
CID 151685716
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-[(Z)-hexan-2-ylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9177023
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
4-N,5-N-ditert-butyl-1H-imidazole-4,5-dicarboxamide
CID 101216749
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 46264443
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide (CID 171985850) is 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide is CCC/C(C)=N\NC(=O)c1nc[nH]c1C(=O)N/N=C(/C)CCC.
What is the InChIKey of 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is MCJMKKHPXQVVLG-BJPQZVBLSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-5-7-10(3)18-20-14(22)12-13(17-9-16-12)15(23)21-19-11(4)8-6-2/h9H,5-8H2,1-4H3,(H,16,17)(H,20,22)(H,21,23)/b18-10-,19-11-.
What are the key properties of 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 171985850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).