ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde

C18H19N3O2 — CID 143577507

IUPACethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde
SMILESCC.Cc1c(C=O)ncn1-c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C16H13N3O2.C2H6/c1-12-15(10-20)17-11-19(12)14-7-5-13(6-8-14)18-9-3-2-4-16(18)21;1-2/h2-11H,1H3;1-2H3
InChIKeyRKWXTYLSNKRQSW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.17
Rot. Bonds3

About ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde

ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde (PubChem CID 143577507) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Nameethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde
PubChem CID143577507
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde
SMILESCC.Cc1c(C=O)ncn1-c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C16H13N3O2.C2H6/c1-12-15(10-20)17-11-19(12)14-7-5-13(6-8-14)18-9-3-2-4-16(18)21;1-2/h2-11H,1H3;1-2H3
InChIKeyRKWXTYLSNKRQSW-UHFFFAOYSA-N
XLogP3.17
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)pyridin-2-one
CID 10821386
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
1-(6-chloro-3-pyridinyl)pyridin-2-one
CID 135221335
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
1-phenyl-5-propylimidazole-4-carbaldehyde
CID 91313172
1-(6-fluoro-3-pyridinyl)pyridin-2-one
CID 58269450
1-[4-(oxidoamino)phenyl]pyridin-2-one
CID 142825420
methyl formate;5-methyl-1-phenylimidazol-4-amine
CID 143034380
1-(5-methylthiophen-2-yl)pyridin-2-one
CID 23543286
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
molecular hydrogen;4-(2-oxo-1-pyridinyl)benzamide
CID 143214195
6-methyl-1-[2-(2-oxo-1-pyridinyl)-4-pyridinyl]pyridin-2-one
CID 175861262

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde?
The IUPAC name of ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde (CID 143577507) is ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde.
What is the SMILES notation for ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde?
The canonical SMILES for ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde is CC.Cc1c(C=O)ncn1-c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde?
The InChIKey is RKWXTYLSNKRQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2.C2H6/c1-12-15(10-20)17-11-19(12)14-7-5-13(6-8-14)18-9-3-2-4-16(18)21;1-2/h2-11H,1H3;1-2H3.
What are the key properties of ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde?
ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde has a molecular weight of 309.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 143577507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).