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

C9H15N3O2 — CID 23629779

IUPAC2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide
SMILESCCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-3-4-5-10-8(13)7-6-11-9(14)12-7/h6H,2-5H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyAOUWKIFRMZYCGP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.62
Rot. Bonds5

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

2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide (PubChem CID 23629779) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide
PubChem CID23629779
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide
SMILESCCCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-3-4-5-10-8(13)7-6-11-9(14)12-7/h6H,2-5H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyAOUWKIFRMZYCGP-UHFFFAOYSA-N
XLogP0.62
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.62
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 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide (CID 23629779) is 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide is CCCCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is AOUWKIFRMZYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-5-10-8(13)7-6-11-9(14)12-7/h6H,2-5H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentyl-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 23629779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).