5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C17H11Cl2N3O2S — CID 90701100

IUPAC5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)s1
InChIInChI=1S/C17H11Cl2N3O2S/c18-10-6-12-13(7-11(10)19)21-15(20-12)9-3-1-8(2-4-9)5-14-16(23)22-17(24)25-14/h1-4,6-7,23H,5H2,(H,20,21)(H,22,24)
InChIKeyDATVTEOUIYGGGY-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.58
Rot. Bonds3

About 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 90701100) has the molecular formula C17H11Cl2N3O2S and a molecular weight of 392.27 g/mol. Its IUPAC name is 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID90701100
Molecular FormulaC17H11Cl2N3O2S
Molecular Weight392.27 g/mol
Exact Mass390.99
IUPAC Name5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)s1
InChIInChI=1S/C17H11Cl2N3O2S/c18-10-6-12-13(7-11(10)19)21-15(20-12)9-3-1-8(2-4-9)5-14-16(23)22-17(24)25-14/h1-4,6-7,23H,5H2,(H,20,21)(H,22,24)
InChIKeyDATVTEOUIYGGGY-UHFFFAOYSA-N
XLogP4.58
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
5-[[4-[2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 90885167
6-(5,6-dichloro-1H-benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 82005407
N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide
CID 44534692
[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 25197901
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54050429
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
5,6-dichloro-2-[4-(2-methylimidazol-1-yl)phenyl]-1H-benzimidazole
CID 130237659
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 90701100) is 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)s1.
What is the InChIKey of 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is DATVTEOUIYGGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S/c18-10-6-12-13(7-11(10)19)21-15(20-12)9-3-1-8(2-4-9)5-14-16(23)22-17(24)25-14/h1-4,6-7,23H,5H2,(H,20,21)(H,22,24).
What are the key properties of 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 392.27 g/mol, XLogP of 4.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90701100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).