N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

C8H13N3O2 — CID 23629775

IUPACN-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-4-9-7(12)6-5-10-8(13)11-6/h5H,2-4H2,1H3,(H,9,12)(H2,10,11,13)
InChIKeyTZGLUTCHJVHMQZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.23
Rot. Bonds4

About N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 23629775) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID23629775
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-4-9-7(12)6-5-10-8(13)11-6/h5H,2-4H2,1H3,(H,9,12)(H2,10,11,13)
InChIKeyTZGLUTCHJVHMQZ-UHFFFAOYSA-N
XLogP0.23
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 23629775) is N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is TZGLUTCHJVHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-4-9-7(12)6-5-10-8(13)11-6/h5H,2-4H2,1H3,(H,9,12)(H2,10,11,13).
What are the key properties of N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 23629775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).