N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide

C12H22N4O — CID 122693161

IUPACN-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ncc(NC(C)(C)C)[nH]1
InChIInChI=1S/C12H22N4O/c1-11(2,3)15-8-7-13-9(14-8)10(17)16-12(4,5)6/h7,15H,1-6H3,(H,13,14)(H,16,17)
InChIKeyZVAJTSSMYWYPFI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.15
Rot. Bonds2

About N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide

N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide (PubChem CID 122693161) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide
PubChem CID122693161
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ncc(NC(C)(C)C)[nH]1
InChIInChI=1S/C12H22N4O/c1-11(2,3)15-8-7-13-9(14-8)10(17)16-12(4,5)6/h7,15H,1-6H3,(H,13,14)(H,16,17)
InChIKeyZVAJTSSMYWYPFI-UHFFFAOYSA-N
XLogP2.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide (CID 122693161) is N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide is CC(C)(C)NC(=O)c1ncc(NC(C)(C)C)[nH]1.
What is the InChIKey of N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide?
The InChIKey is ZVAJTSSMYWYPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)15-8-7-13-9(14-8)10(17)16-12(4,5)6/h7,15H,1-6H3,(H,13,14)(H,16,17).
What are the key properties of N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide?
N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(tert-butylamino)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 122693161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).