2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole

C19H19N3OS2 — CID 20685295

IUPAC2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole
SMILESc1ccc2[nH]c(SCCCCCSc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C19H19N3OS2/c1(6-12-24-18-20-14-8-2-3-9-15(14)21-18)7-13-25-19-22-16-10-4-5-11-17(16)23-19/h2-5,8-11H,1,6-7,12-13H2,(H,20,21)
InChIKeyONEZOKQRFYFSGW-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.76
Rot. Bonds8

About 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole

2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole (PubChem CID 20685295) has the molecular formula C19H19N3OS2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole
PubChem CID20685295
Molecular FormulaC19H19N3OS2
Molecular Weight369.51 g/mol
Exact Mass369.10
IUPAC Name2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole
SMILESc1ccc2[nH]c(SCCCCCSc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C19H19N3OS2/c1(6-12-24-18-20-14-8-2-3-9-15(14)21-18)7-13-25-19-22-16-10-4-5-11-17(16)23-19/h2-5,8-11H,1,6-7,12-13H2,(H,20,21)
InChIKeyONEZOKQRFYFSGW-UHFFFAOYSA-N
XLogP5.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole 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

2-(1H-Benzimidazol-2-yl)-1,3-benzoxazole
CID 373877
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(2-methoxyphenyl)-
CID 54998
3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 10198876
N-(1,3-benzothiazol-2-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 654435
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole
CID 706189
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2361559
2-[(3-Bromo-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzoxazole
CID 3241783
Benzooxazol-2-yl-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-heptyl-amine
CID 9893833
Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-heptyl-amine
CID 18956333
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,5-diphenyl-1,3-oxazol-2-yl)acetamide
CID 1290207
4-(1H-benzimidazol-2-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
CID 2998593
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2999907

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole (CID 20685295) is 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole is c1ccc2[nH]c(SCCCCCSc3nc4ccccc4o3)nc2c1.
What is the InChIKey of 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole?
The InChIKey is ONEZOKQRFYFSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1(6-12-24-18-20-14-8-2-3-9-15(14)21-18)7-13-25-19-22-16-10-4-5-11-17(16)23-19/h2-5,8-11H,1,6-7,12-13H2,(H,20,21).
What are the key properties of 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole?
2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole has a molecular weight of 369.51 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-benzimidazol-2-ylsulfanyl)pentylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 20685295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).