N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide

C8H13N3O2 — CID 172999940

IUPACN-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide
SMILESCCC(C)NC(=O)n1cc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-3-6(2)10-8(13)11-5-4-9-7(11)12/h4-6H,3H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyGAUUOHSOWYKNIR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.53
Rot. Bonds2

About N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide

N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide (PubChem CID 172999940) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide
PubChem CID172999940
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide
SMILESCCC(C)NC(=O)n1cc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-3-6(2)10-8(13)11-5-4-9-7(11)12/h4-6H,3H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyGAUUOHSOWYKNIR-UHFFFAOYSA-N
XLogP0.53
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide (CID 172999940) is N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide is CCC(C)NC(=O)n1cc[nH]c1=O.
What is the InChIKey of N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is GAUUOHSOWYKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-6(2)10-8(13)11-5-4-9-7(11)12/h4-6H,3H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide?
N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 172999940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).