4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide

C15H26N4O2 — CID 167791204

IUPAC4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCCC(C)(C)NC(=O)c1nc[nH]c1C(=O)NC(C)(C)CC
InChIInChI=1S/C15H26N4O2/c1-7-14(3,4)18-12(20)10-11(17-9-16-10)13(21)19-15(5,6)8-2/h9H,7-8H2,1-6H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyHLBVPEWJMXGTFQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.25
Rot. Bonds6

About 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide

4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 167791204) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide
PubChem CID167791204
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCCC(C)(C)NC(=O)c1nc[nH]c1C(=O)NC(C)(C)CC
InChIInChI=1S/C15H26N4O2/c1-7-14(3,4)18-12(20)10-11(17-9-16-10)13(21)19-15(5,6)8-2/h9H,7-8H2,1-6H3,(H,16,17)(H,18,20)(H,19,21)
InChIKeyHLBVPEWJMXGTFQ-UHFFFAOYSA-N
XLogP2.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide (CID 167791204) is 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide is CCC(C)(C)NC(=O)c1nc[nH]c1C(=O)NC(C)(C)CC.
What is the InChIKey of 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is HLBVPEWJMXGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-7-14(3,4)18-12(20)10-11(17-9-16-10)13(21)19-15(5,6)8-2/h9H,7-8H2,1-6H3,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide?
4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2-methylbutan-2-yl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 167791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).