2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane

C14H20N2OS — CID 143284322

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane
SMILESCC(C)C.Cn1c(SCC=O)nc2ccccc21
InChIInChI=1S/C10H10N2OS.C4H10/c1-12-9-5-3-2-4-8(9)11-10(12)14-7-6-13;1-4(2)3/h2-6H,7H2,1H3;4H,1-3H3
InChIKeyDZLGEJLRNXTMOX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.53
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane

2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane (PubChem CID 143284322) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane
PubChem CID143284322
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane
SMILESCC(C)C.Cn1c(SCC=O)nc2ccccc21
InChIInChI=1S/C10H10N2OS.C4H10/c1-12-9-5-3-2-4-8(9)11-10(12)14-7-6-13;1-4(2)3/h2-6H,7H2,1H3;4H,1-3H3
InChIKeyDZLGEJLRNXTMOX-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane (CID 143284322) is 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane is CC(C)C.Cn1c(SCC=O)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane?
The InChIKey is DZLGEJLRNXTMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS.C4H10/c1-12-9-5-3-2-4-8(9)11-10(12)14-7-6-13;1-4(2)3/h2-6H,7H2,1H3;4H,1-3H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane?
2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane has a molecular weight of 264.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane is sourced from PubChem (CID 143284322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).