4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde

C11H10N2OS — CID 107782964

IUPAC4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde
SMILESCc1cc(Sc2ncc[nH]2)ccc1C=O
InChIInChI=1S/C11H10N2OS/c1-8-6-10(3-2-9(8)7-14)15-11-12-4-5-13-11/h2-7H,1H3,(H,12,13)
InChIKeySRHFLQUMGZCAGM-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.68
Rot. Bonds3

About 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde

4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde (PubChem CID 107782964) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde
PubChem CID107782964
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde
SMILESCc1cc(Sc2ncc[nH]2)ccc1C=O
InChIInChI=1S/C11H10N2OS/c1-8-6-10(3-2-9(8)7-14)15-11-12-4-5-13-11/h2-7H,1H3,(H,12,13)
InChIKeySRHFLQUMGZCAGM-UHFFFAOYSA-N
XLogP2.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-imidazol-2-ylsulfanyl)benzaldehyde
CID 107782974
5-(1H-imidazol-2-ylsulfanyl)-2-methylaniline
CID 107779352
[4-(1H-imidazol-2-ylsulfanyl)-2-methylphenyl]methanol
CID 107783398
2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 55238574
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926334
4-(1H-imidazol-2-ylsulfanyl)benzene-1,2-diamine
CID 21482783
1-[2-chloro-4-(1H-imidazol-2-ylsulfanyl)phenyl]ethanone
CID 107780510
2-(2-methylphenyl)sulfanyl-1H-imidazole
CID 67575257
(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 107783424
2-methyl-4-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzaldehyde
CID 63802057
4-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)benzoic acid
CID 114001043
[4-(1H-imidazol-2-ylsulfanyl)phenyl]methanol
CID 107783417

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde (CID 107782964) is 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde is Cc1cc(Sc2ncc[nH]2)ccc1C=O.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde?
The InChIKey is SRHFLQUMGZCAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8-6-10(3-2-9(8)7-14)15-11-12-4-5-13-11/h2-7H,1H3,(H,12,13).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde?
4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanyl)-2-methylbenzaldehyde is sourced from PubChem (CID 107782964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).