3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal

C14H16N2O — CID 57110840

IUPAC3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal
SMILESCc1nc(-c2ccccc2)n(C)c1CCC=O
InChIInChI=1S/C14H16N2O/c1-11-13(9-6-10-17)16(2)14(15-11)12-7-4-3-5-8-12/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyOWFKJFNBRZGAAG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.53
Rot. Bonds4

About 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal

3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal (PubChem CID 57110840) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal.

Molecular Properties

Compound Name3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal
PubChem CID57110840
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal
SMILESCc1nc(-c2ccccc2)n(C)c1CCC=O
InChIInChI=1S/C14H16N2O/c1-11-13(9-6-10-17)16(2)14(15-11)12-7-4-3-5-8-12/h3-5,7-8,10H,6,9H2,1-2H3
InChIKeyOWFKJFNBRZGAAG-UHFFFAOYSA-N
XLogP2.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.53
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

4-[3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanoyl]benzaldehyde
CID 15671079
N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine
CID 145470770
4-[2-(1,5-dimethyl-2-phenylimidazol-4-yl)ethyl]-1,5-dimethyl-2-phenylimidazole
CID 123608217
1-methyl-2,5-diphenylimidazole-4-carbaldehyde
CID 14924912
ethane;3-(2,5,6-trimethyl-4-phenyl-3-pyridinyl)propanal
CID 54012296
5-amino-1-methyl-2-phenylimidazole-4-carbaldehyde
CID 10726751
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175120555
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-amine
CID 62879904
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-ol
CID 174582324
N-(5-ethyl-3-methyl-2-phenylimidazol-4-yl)methanimine
CID 145470759
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal?
The IUPAC name of 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal (CID 57110840) is 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal.
What is the SMILES notation for 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal?
The canonical SMILES for 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal is Cc1nc(-c2ccccc2)n(C)c1CCC=O.
What is the InChIKey of 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal?
The InChIKey is OWFKJFNBRZGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-13(9-6-10-17)16(2)14(15-11)12-7-4-3-5-8-12/h3-5,7-8,10H,6,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal?
3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal has a molecular weight of 228.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2-phenylimidazol-4-yl)propanal is sourced from PubChem (CID 57110840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).