4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde

C15H12N2OS — CID 113384643

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
SMILESO=Cc1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H12N2OS/c18-10-12-4-6-14(7-5-12)19-11-13-9-17-8-2-1-3-15(17)16-13/h1-10H,11H2
InChIKeyPIIRJOUCDXWJKY-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.44
Rot. Bonds4

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde (PubChem CID 113384643) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
PubChem CID113384643
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
SMILESO=Cc1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H12N2OS/c18-10-12-4-6-14(7-5-12)19-11-13-9-17-8-2-1-3-15(17)16-13/h1-10H,11H2
InChIKeyPIIRJOUCDXWJKY-UHFFFAOYSA-N
XLogP3.44
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
4-imidazo[1,2-a]pyridin-2-ylbenzaldehyde
CID 820963
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
4-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]benzaldehyde
CID 14042790
N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 31702932
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
1-[5-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850110
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39461568
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde (CID 113384643) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde is O=Cc1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde?
The InChIKey is PIIRJOUCDXWJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-10-12-4-6-14(7-5-12)19-11-13-9-17-8-2-1-3-15(17)16-13/h1-10H,11H2.
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde has a molecular weight of 268.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde is sourced from PubChem (CID 113384643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).