5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide

C7H11N3O2 — CID 167062710

IUPAC5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide
SMILESCC(C)NC(=O)C1=NCC(=O)N1
InChIInChI=1S/C7H11N3O2/c1-4(2)9-7(12)6-8-3-5(11)10-6/h4H,3H2,1-2H3,(H,9,12)(H,8,10,11)
InChIKeyGCLAHMPWEXZPEF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.96
Rot. Bonds2

About 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide

5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide (PubChem CID 167062710) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide
PubChem CID167062710
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide
SMILESCC(C)NC(=O)C1=NCC(=O)N1
InChIInChI=1S/C7H11N3O2/c1-4(2)9-7(12)6-8-3-5(11)10-6/h4H,3H2,1-2H3,(H,9,12)(H,8,10,11)
InChIKeyGCLAHMPWEXZPEF-UHFFFAOYSA-N
XLogP-0.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide (CID 167062710) is 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide is CC(C)NC(=O)C1=NCC(=O)N1.
What is the InChIKey of 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide?
The InChIKey is GCLAHMPWEXZPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)9-7(12)6-8-3-5(11)10-6/h4H,3H2,1-2H3,(H,9,12)(H,8,10,11).
What are the key properties of 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide?
5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide is sourced from PubChem (CID 167062710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).