3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

C17H19N3OS — CID 46786455

IUPAC3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESc1ccc2c(c1)nc(SCc1ccon1)n2C1CCCCC1
InChIInChI=1S/C17H19N3OS/c1-2-6-14(7-3-1)20-16-9-5-4-8-15(16)18-17(20)22-12-13-10-11-21-19-13/h4-5,8-11,14H,1-3,6-7,12H2
InChIKeyHINAVOIIUYJURW-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.82
Rot. Bonds4

About 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 46786455) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID46786455
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESc1ccc2c(c1)nc(SCc1ccon1)n2C1CCCCC1
InChIInChI=1S/C17H19N3OS/c1-2-6-14(7-3-1)20-16-9-5-4-8-15(16)18-17(20)22-12-13-10-11-21-19-13/h4-5,8-11,14H,1-3,6-7,12H2
InChIKeyHINAVOIIUYJURW-UHFFFAOYSA-N
XLogP4.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (CID 46786455) is 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is c1ccc2c(c1)nc(SCc1ccon1)n2C1CCCCC1.
What is the InChIKey of 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is HINAVOIIUYJURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-6-14(7-3-1)20-16-9-5-4-8-15(16)18-17(20)22-12-13-10-11-21-19-13/h4-5,8-11,14H,1-3,6-7,12H2.
What are the key properties of 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 313.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 46786455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).