2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol

C18H16Cl2N2OS — CID 12806283

IUPAC2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol
SMILESOC1(c2ccc(Cl)c(Cl)c2)C(Cc2ccccc2)SC2=NCCN21
InChIInChI=1S/C18H16Cl2N2OS/c19-14-7-6-13(11-15(14)20)18(23)16(10-12-4-2-1-3-5-12)24-17-21-8-9-22(17)18/h1-7,11,16,23H,8-10H2
InChIKeyGWEDNLVUEBCMGD-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.17
Rot. Bonds3

About 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol

2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol (PubChem CID 12806283) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol.

Molecular Properties

Compound Name2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol
PubChem CID12806283
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC Name2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol
SMILESOC1(c2ccc(Cl)c(Cl)c2)C(Cc2ccccc2)SC2=NCCN21
InChIInChI=1S/C18H16Cl2N2OS/c19-14-7-6-13(11-15(14)20)18(23)16(10-12-4-2-1-3-5-12)24-17-21-8-9-22(17)18/h1-7,11,16,23H,8-10H2
InChIKeyGWEDNLVUEBCMGD-UHFFFAOYSA-N
XLogP4.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol?
The IUPAC name of 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol (CID 12806283) is 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol.
What is the SMILES notation for 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol?
The canonical SMILES for 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol is OC1(c2ccc(Cl)c(Cl)c2)C(Cc2ccccc2)SC2=NCCN21.
What is the InChIKey of 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol?
The InChIKey is GWEDNLVUEBCMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c19-14-7-6-13(11-15(14)20)18(23)16(10-12-4-2-1-3-5-12)24-17-21-8-9-22(17)18/h1-7,11,16,23H,8-10H2.
What are the key properties of 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol?
2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol has a molecular weight of 379.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3,4-dichlorophenyl)-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol is sourced from PubChem (CID 12806283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).