4-(1-propylimidazol-2-yl)benzaldehyde

C13H14N2O — CID 63975190

IUPAC4-(1-propylimidazol-2-yl)benzaldehyde
SMILESCCCn1ccnc1-c1ccc(C=O)cc1
InChIInChI=1S/C13H14N2O/c1-2-8-15-9-7-14-13(15)12-5-3-11(10-16)4-6-12/h3-7,9-10H,2,8H2,1H3
InChIKeyOHMWIZOSOYBBED-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds4

About 4-(1-propylimidazol-2-yl)benzaldehyde

4-(1-propylimidazol-2-yl)benzaldehyde (PubChem CID 63975190) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(1-propylimidazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1-propylimidazol-2-yl)benzaldehyde
PubChem CID63975190
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(1-propylimidazol-2-yl)benzaldehyde
SMILESCCCn1ccnc1-c1ccc(C=O)cc1
InChIInChI=1S/C13H14N2O/c1-2-8-15-9-7-14-13(15)12-5-3-11(10-16)4-6-12/h3-7,9-10H,2,8H2,1H3
InChIKeyOHMWIZOSOYBBED-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde
CID 63974565
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
3-(2-phenylimidazol-1-yl)propanal
CID 63040001
N,N-diethyl-2-[2-(4-methylsulfonylphenyl)imidazol-1-yl]ethanamine
CID 56739287
ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
CID 155737371
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
1-[(3-propylimidazol-4-yl)methyl]imidazole-2-carbaldehyde
CID 66154390
4-(2-propyltetrazol-5-yl)benzaldehyde
CID 146422651

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylimidazol-2-yl)benzaldehyde?
The IUPAC name of 4-(1-propylimidazol-2-yl)benzaldehyde (CID 63975190) is 4-(1-propylimidazol-2-yl)benzaldehyde.
What is the SMILES notation for 4-(1-propylimidazol-2-yl)benzaldehyde?
The canonical SMILES for 4-(1-propylimidazol-2-yl)benzaldehyde is CCCn1ccnc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(1-propylimidazol-2-yl)benzaldehyde?
The InChIKey is OHMWIZOSOYBBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-8-15-9-7-14-13(15)12-5-3-11(10-16)4-6-12/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 4-(1-propylimidazol-2-yl)benzaldehyde?
4-(1-propylimidazol-2-yl)benzaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylimidazol-2-yl)benzaldehyde is sourced from PubChem (CID 63975190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).