3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal

C12H14N2O — CID 117290887

IUPAC3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
SMILESO=CCCc1ccccc1N1C=NCC1
InChIInChI=1S/C12H14N2O/c15-9-3-5-11-4-1-2-6-12(11)14-8-7-13-10-14/h1-2,4,6,9-10H,3,5,7-8H2
InChIKeyGHXSLVBJRIFRAM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.67
Rot. Bonds4

About 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal

3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal (PubChem CID 117290887) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal.

Molecular Properties

Compound Name3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
PubChem CID117290887
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
SMILESO=CCCc1ccccc1N1C=NCC1
InChIInChI=1S/C12H14N2O/c15-9-3-5-11-4-1-2-6-12(11)14-8-7-13-10-14/h1-2,4,6,9-10H,3,5,7-8H2
InChIKeyGHXSLVBJRIFRAM-UHFFFAOYSA-N
XLogP1.67
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.67
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-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336300
1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole
CID 70542981
3-[3-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290888
2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol
CID 117292773
3-[2-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]propanal
CID 117308217
1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentan-1-amine
CID 117331093
3-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propanal
CID 117368540
3-(2-methylphenyl)propanal
CID 15191870
3-(2-trimethylsilylphenyl)propanal
CID 54297414
3-(2-ethynylphenyl)propanal
CID 119081838
O-[2-[3-(4,5-dihydroimidazol-1-yl)phenyl]ethyl]hydroxylamine
CID 117293696
N-[2-(4,5-dihydroimidazol-1-yl)phenyl]-2-(pyridin-4-ylamino)acetamide
CID 23036184

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal?
The IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal (CID 117290887) is 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal.
What is the SMILES notation for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal?
The canonical SMILES for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal is O=CCCc1ccccc1N1C=NCC1.
What is the InChIKey of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal?
The InChIKey is GHXSLVBJRIFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-9-3-5-11-4-1-2-6-12(11)14-8-7-13-10-14/h1-2,4,6,9-10H,3,5,7-8H2.
What are the key properties of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal?
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal has a molecular weight of 202.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal is sourced from PubChem (CID 117290887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).