3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide

C7H11N3O2 — CID 23221887

IUPAC3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide
SMILESCC(C)(O)n1cncc1C(N)=O
InChIInChI=1S/C7H11N3O2/c1-7(2,12)10-4-9-3-5(10)6(8)11/h3-4,12H,1-2H3,(H2,8,11)
InChIKeyJPNZLBDLENKHIU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.33
Rot. Bonds2

About 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide

3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide (PubChem CID 23221887) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide
PubChem CID23221887
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide
SMILESCC(C)(O)n1cncc1C(N)=O
InChIInChI=1S/C7H11N3O2/c1-7(2,12)10-4-9-3-5(10)6(8)11/h3-4,12H,1-2H3,(H2,8,11)
InChIKeyJPNZLBDLENKHIU-UHFFFAOYSA-N
XLogP-0.33
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide (CID 23221887) is 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide is CC(C)(O)n1cncc1C(N)=O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide?
The InChIKey is JPNZLBDLENKHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-7(2,12)10-4-9-3-5(10)6(8)11/h3-4,12H,1-2H3,(H2,8,11).
What are the key properties of 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide?
3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 23221887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).