3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide

C8H15N3O2 — CID 166853178

IUPAC3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide
SMILESCCC(C)N1C=C(C(N)=O)NC1O
InChIInChI=1S/C8H15N3O2/c1-3-5(2)11-4-6(7(9)12)10-8(11)13/h4-5,8,10,13H,3H2,1-2H3,(H2,9,12)
InChIKeyZQRKHLVUWLFLCF-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.71
Rot. Bonds3

About 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide

3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide (PubChem CID 166853178) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide
PubChem CID166853178
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide
SMILESCCC(C)N1C=C(C(N)=O)NC1O
InChIInChI=1S/C8H15N3O2/c1-3-5(2)11-4-6(7(9)12)10-8(11)13/h4-5,8,10,13H,3H2,1-2H3,(H2,9,12)
InChIKeyZQRKHLVUWLFLCF-UHFFFAOYSA-N
XLogP-0.71
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide (CID 166853178) is 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide is CCC(C)N1C=C(C(N)=O)NC1O.
What is the InChIKey of 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide?
The InChIKey is ZQRKHLVUWLFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-5(2)11-4-6(7(9)12)10-8(11)13/h4-5,8,10,13H,3H2,1-2H3,(H2,9,12).
What are the key properties of 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide?
3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-hydroxy-1,2-dihydroimidazole-5-carboxamide is sourced from PubChem (CID 166853178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).