2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide

C10H16N4O2 — CID 70133022

IUPAC2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide
SMILESCNC(=O)n1cc(C(N)=O)nc1C(C)(C)C
InChIInChI=1S/C10H16N4O2/c1-10(2,3)8-13-6(7(11)15)5-14(8)9(16)12-4/h5H,1-4H3,(H2,11,15)(H,12,16)
InChIKeyCKRBAFTXHNQLMQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds1

About 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide

2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide (PubChem CID 70133022) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide.

Molecular Properties

Compound Name2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide
PubChem CID70133022
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide
SMILESCNC(=O)n1cc(C(N)=O)nc1C(C)(C)C
InChIInChI=1S/C10H16N4O2/c1-10(2,3)8-13-6(7(11)15)5-14(8)9(16)12-4/h5H,1-4H3,(H2,11,15)(H,12,16)
InChIKeyCKRBAFTXHNQLMQ-UHFFFAOYSA-N
XLogP0.47
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide?
The IUPAC name of 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide (CID 70133022) is 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide.
What is the SMILES notation for 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide?
The canonical SMILES for 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide is CNC(=O)n1cc(C(N)=O)nc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide?
The InChIKey is CKRBAFTXHNQLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)8-13-6(7(11)15)5-14(8)9(16)12-4/h5H,1-4H3,(H2,11,15)(H,12,16).
What are the key properties of 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide?
2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-N-methylimidazole-1,4-dicarboxamide is sourced from PubChem (CID 70133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).