2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide

C10H17N3O2 — CID 23629750

IUPAC2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)N(C(=O)c1c[nH]c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H17N3O2/c1-6(2)13(7(3)4)9(14)8-5-11-10(15)12-8/h5-7H,1-4H3,(H2,11,12,15)
InChIKeyYNJRJBLBYIJBJL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds3

About 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide

2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide (PubChem CID 23629750) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide
PubChem CID23629750
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide
SMILESCC(C)N(C(=O)c1c[nH]c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H17N3O2/c1-6(2)13(7(3)4)9(14)8-5-11-10(15)12-8/h5-7H,1-4H3,(H2,11,12,15)
InChIKeyYNJRJBLBYIJBJL-UHFFFAOYSA-N
XLogP0.96
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide (CID 23629750) is 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide is CC(C)N(C(=O)c1c[nH]c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is YNJRJBLBYIJBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(2)13(7(3)4)9(14)8-5-11-10(15)12-8/h5-7H,1-4H3,(H2,11,12,15).
What are the key properties of 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-di(propan-2-yl)-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 23629750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).