4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one

C13H15N3O2 — CID 70458364

IUPAC4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one
SMILESCCCCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1
InChIInChI=1S/C13H15N3O2/c1-2-3-4-10-11(16-13(18)15-10)12(17)9-5-7-14-8-6-9/h5-8H,2-4H2,1H3,(H2,15,16,18)
InChIKeyLRCHTQXOPKPPJI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.67
Rot. Bonds5

About 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one

4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 70458364) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID70458364
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one
SMILESCCCCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1
InChIInChI=1S/C13H15N3O2/c1-2-3-4-10-11(16-13(18)15-10)12(17)9-5-7-14-8-6-9/h5-8H,2-4H2,1H3,(H2,15,16,18)
InChIKeyLRCHTQXOPKPPJI-UHFFFAOYSA-N
XLogP1.67
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one (CID 70458364) is 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one is CCCCc1[nH]c(=O)[nH]c1C(=O)c1ccncc1.
What is the InChIKey of 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is LRCHTQXOPKPPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-3-4-10-11(16-13(18)15-10)12(17)9-5-7-14-8-6-9/h5-8H,2-4H2,1H3,(H2,15,16,18).
What are the key properties of 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one?
4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 70458364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).