1-tert-butyl-N,N-dimethylimidazole-2-carboxamide

C10H17N3O — CID 58336927

IUPAC1-tert-butyl-N,N-dimethylimidazole-2-carboxamide
SMILESCN(C)C(=O)c1nccn1C(C)(C)C
InChIInChI=1S/C10H17N3O/c1-10(2,3)13-7-6-11-8(13)9(14)12(4)5/h6-7H,1-5H3
InChIKeyGSDOMZWYEVCCKU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.34
Rot. Bonds1

About 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide

1-tert-butyl-N,N-dimethylimidazole-2-carboxamide (PubChem CID 58336927) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylimidazole-2-carboxamide
PubChem CID58336927
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-tert-butyl-N,N-dimethylimidazole-2-carboxamide
SMILESCN(C)C(=O)c1nccn1C(C)(C)C
InChIInChI=1S/C10H17N3O/c1-10(2,3)13-7-6-11-8(13)9(14)12(4)5/h6-7H,1-5H3
InChIKeyGSDOMZWYEVCCKU-UHFFFAOYSA-N
XLogP1.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide?
The IUPAC name of 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide (CID 58336927) is 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide?
The canonical SMILES for 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide is CN(C)C(=O)c1nccn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide?
The InChIKey is GSDOMZWYEVCCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)13-7-6-11-8(13)9(14)12(4)5/h6-7H,1-5H3.
What are the key properties of 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide?
1-tert-butyl-N,N-dimethylimidazole-2-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 58336927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).