3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole

C20H19N3OS — CID 4135800

IUPAC3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cccc(-n2c(SCc3c(C)noc3C)nc3ccccc32)c1
InChIInChI=1S/C20H19N3OS/c1-13-7-6-8-16(11-13)23-19-10-5-4-9-18(19)21-20(23)25-12-17-14(2)22-24-15(17)3/h4-11H,12H2,1-3H3
InChIKeyDMFNOGBJDDIKME-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.23
Rot. Bonds4

About 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole

3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 4135800) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID4135800
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cccc(-n2c(SCc3c(C)noc3C)nc3ccccc32)c1
InChIInChI=1S/C20H19N3OS/c1-13-7-6-8-16(11-13)23-19-10-5-4-9-18(19)21-20(23)25-12-17-14(2)22-24-15(17)3/h4-11H,12H2,1-3H3
InChIKeyDMFNOGBJDDIKME-UHFFFAOYSA-N
XLogP5.23
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-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

Related Compounds

2-{[(3,5-dimethyl-4-isoxazolyl)methyl]thio}-1H-benzimidazole
CID 975504
1-Butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide
CID 2997601
3,5-Dimethyl-4-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
CID 2999518
2-{[(3-phenyl-5-isoxazolyl)methyl]thio}-1H-benzimidazole
CID 1836620
3,5-Dimethyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 2997529
3,5-Dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 5174129
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1-propylbenzimidazol-2-yl)benzamide
CID 16369085
5-Ethyl-3-[[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 90040466
3-[[4-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole
CID 123149391
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]piperidin-4-amine
CID 144572779
3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-phenyl-1,2-oxazole
CID 8326470
4-[[4-(4-Fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 3485629

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole (CID 4135800) is 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole is Cc1cccc(-n2c(SCc3c(C)noc3C)nc3ccccc32)c1.
What is the InChIKey of 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is DMFNOGBJDDIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-7-6-8-16(11-13)23-19-10-5-4-9-18(19)21-20(23)25-12-17-14(2)22-24-15(17)3/h4-11H,12H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 349.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 4135800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).