1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide

C11H19N3O — CID 23541328

IUPAC1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(C(C)C)cn1C
InChIInChI=1S/C11H19N3O/c1-7(2)9-6-14(5)10(13-9)11(15)12-8(3)4/h6-8H,1-5H3,(H,12,15)
InChIKeyIHKLRCFIQCJRKK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds3

About 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide

1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide (PubChem CID 23541328) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide
PubChem CID23541328
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(C(C)C)cn1C
InChIInChI=1S/C11H19N3O/c1-7(2)9-6-14(5)10(13-9)11(15)12-8(3)4/h6-8H,1-5H3,(H,12,15)
InChIKeyIHKLRCFIQCJRKK-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide (CID 23541328) is 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide is CC(C)NC(=O)c1nc(C(C)C)cn1C.
What is the InChIKey of 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide?
The InChIKey is IHKLRCFIQCJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)9-6-14(5)10(13-9)11(15)12-8(3)4/h6-8H,1-5H3,(H,12,15).
What are the key properties of 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide?
1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N,4-di(propan-2-yl)imidazole-2-carboxamide is sourced from PubChem (CID 23541328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).