2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde

C10H10N2OS — CID 62875439

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
SMILESCc1ccc2nc(SCC=O)[nH]c2c1
InChIInChI=1S/C10H10N2OS/c1-7-2-3-8-9(6-7)12-10(11-8)14-5-4-13/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeySKDDBZIDXMNGEI-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.16
Rot. Bonds3

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde (PubChem CID 62875439) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
PubChem CID62875439
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
SMILESCc1ccc2nc(SCC=O)[nH]c2c1
InChIInChI=1S/C10H10N2OS/c1-7-2-3-8-9(6-7)12-10(11-8)14-5-4-13/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeySKDDBZIDXMNGEI-UHFFFAOYSA-N
XLogP2.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole
CID 5074084
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 113388625
2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde (CID 62875439) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde is Cc1ccc2nc(SCC=O)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde?
The InChIKey is SKDDBZIDXMNGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-2-3-8-9(6-7)12-10(11-8)14-5-4-13/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde is sourced from PubChem (CID 62875439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).