3-(imidazol-1-ylmethyl)benzaldehyde

C11H10N2O — CID 10397537

IUPAC3-(imidazol-1-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C11H10N2O/c14-8-11-3-1-2-10(6-11)7-13-5-4-12-9-13/h1-6,8-9H,7H2
InChIKeyJMKQKKQFLYPQDD-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.74
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)benzaldehyde

3-(imidazol-1-ylmethyl)benzaldehyde (PubChem CID 10397537) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)benzaldehyde
PubChem CID10397537
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-(imidazol-1-ylmethyl)benzaldehyde
SMILESO=Cc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C11H10N2O/c14-8-11-3-1-2-10(6-11)7-13-5-4-12-9-13/h1-6,8-9H,7H2
InChIKeyJMKQKKQFLYPQDD-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.74
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

benzaldehyde;1-benzylimidazole
CID 23446402
ethyl 3-[3-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
CID 54081431
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
3-[(3-methylpyrazol-1-yl)methyl]benzaldehyde
CID 159165521
3-(imidazol-1-ylmethyl)-4-methoxybenzaldehyde chloride
CID 53350504
6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
CID 71463812
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide
CID 6481807

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)benzaldehyde?
The IUPAC name of 3-(imidazol-1-ylmethyl)benzaldehyde (CID 10397537) is 3-(imidazol-1-ylmethyl)benzaldehyde.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)benzaldehyde?
The canonical SMILES for 3-(imidazol-1-ylmethyl)benzaldehyde is O=Cc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)benzaldehyde?
The InChIKey is JMKQKKQFLYPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-8-11-3-1-2-10(6-11)7-13-5-4-12-9-13/h1-6,8-9H,7H2.
What are the key properties of 3-(imidazol-1-ylmethyl)benzaldehyde?
3-(imidazol-1-ylmethyl)benzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)benzaldehyde is sourced from PubChem (CID 10397537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).