1-phenyl-5-propylimidazole-4-carbaldehyde

C13H14N2O — CID 91313172

IUPAC1-phenyl-5-propylimidazole-4-carbaldehyde
SMILESCCCc1c(C=O)ncn1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-6-13-12(9-16)14-10-15(13)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKeyPLMCLMIWMIULGY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.64
Rot. Bonds4

About 1-phenyl-5-propylimidazole-4-carbaldehyde

1-phenyl-5-propylimidazole-4-carbaldehyde (PubChem CID 91313172) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-phenyl-5-propylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-5-propylimidazole-4-carbaldehyde
PubChem CID91313172
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-phenyl-5-propylimidazole-4-carbaldehyde
SMILESCCCc1c(C=O)ncn1-c1ccccc1
InChIInChI=1S/C13H14N2O/c1-2-6-13-12(9-16)14-10-15(13)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3
InChIKeyPLMCLMIWMIULGY-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenoxypropyl)-5-propyltriazole-4-carbaldehyde
CID 82209374
ethane;5-methyl-1-[4-(2-oxo-1-pyridinyl)phenyl]imidazole-4-carbaldehyde
CID 143577507
5-propyl-1-(4-pyrrolidin-1-ylphenyl)triazole-4-carbaldehyde
CID 82199580
3-phenylimidazo[4,5-b]pyridine-5-carbaldehyde
CID 11715549
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
5-ethyl-4-oxoimidazo[1,5-a]quinoxaline-3-carbaldehyde
CID 19896739
1-(4-phenyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbaldehyde
CID 82221203
methyl formate;5-methyl-1-phenylimidazol-4-amine
CID 143034380
5-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 141395682
(1-phenyl-3-propylpyrrol-2-yl)methanol
CID 86019425
5-ethyl-1-phenylpyrazole-3-carbaldehyde
CID 115021958
1-methyl-4-propylpyrazole-3-carbaldehyde
CID 105422580

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propylimidazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-5-propylimidazole-4-carbaldehyde (CID 91313172) is 1-phenyl-5-propylimidazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-5-propylimidazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-5-propylimidazole-4-carbaldehyde is CCCc1c(C=O)ncn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-propylimidazole-4-carbaldehyde?
The InChIKey is PLMCLMIWMIULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-6-13-12(9-16)14-10-15(13)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 1-phenyl-5-propylimidazole-4-carbaldehyde?
1-phenyl-5-propylimidazole-4-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propylimidazole-4-carbaldehyde is sourced from PubChem (CID 91313172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).