4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

C20H19N3OS2 — CID 2997868

IUPAC4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21
InChIInChI=1S/C20H19N3OS2/c1-24-12-11-23-18-10-6-5-9-17(18)22-20(23)26-14-16-13-25-19(21-16)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3
InChIKeyJDIMXSHKKMKXJN-UHFFFAOYSA-N
MW381.53 g/mol
LogP5.10
Rot. Bonds7

About 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2997868) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2997868
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21
InChIInChI=1S/C20H19N3OS2/c1-24-12-11-23-18-10-6-5-9-17(18)22-20(23)26-14-16-13-25-19(21-16)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3
InChIKeyJDIMXSHKKMKXJN-UHFFFAOYSA-N
XLogP5.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole 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 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2997868) is 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is COCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc21.
What is the InChIKey of 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is JDIMXSHKKMKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-24-12-11-23-18-10-6-5-9-17(18)22-20(23)26-14-16-13-25-19(21-16)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 381.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2997868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).