2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole

C16H9Cl2N3S — CID 135692686

IUPAC2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole
SMILESClc1ccc(Cl)c(-c2csc(-c3nc4ccccc4[nH]3)n2)c1
InChIInChI=1S/C16H9Cl2N3S/c17-9-5-6-11(18)10(7-9)14-8-22-16(21-14)15-19-12-3-1-2-4-13(12)20-15/h1-8H,(H,19,20)
InChIKeyVNCYKYLTFFJLCP-UHFFFAOYSA-N
MW346.24 g/mol
LogP5.66
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole

2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole (PubChem CID 135692686) has the molecular formula C16H9Cl2N3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole
PubChem CID135692686
Molecular FormulaC16H9Cl2N3S
Molecular Weight346.24 g/mol
Exact Mass344.99
IUPAC Name2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole
SMILESClc1ccc(Cl)c(-c2csc(-c3nc4ccccc4[nH]3)n2)c1
InChIInChI=1S/C16H9Cl2N3S/c17-9-5-6-11(18)10(7-9)14-8-22-16(21-14)15-19-12-3-1-2-4-13(12)20-15/h1-8H,(H,19,20)
InChIKeyVNCYKYLTFFJLCP-UHFFFAOYSA-N
XLogP5.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.24
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-(2-fluorophenyl)-1,3-thiazole
CID 141368913
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-(1H-benzimidazol-2-yl)-4-(3-nitrophenyl)-1,3-thiazole
CID 135822805
[4-(1H-benzimidazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone
CID 59165209
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]thiophene-2-sulfonamide
CID 71229061
3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
CID 71230104
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 63524563
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 3329340

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole (CID 135692686) is 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole is Clc1ccc(Cl)c(-c2csc(-c3nc4ccccc4[nH]3)n2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole?
The InChIKey is VNCYKYLTFFJLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3S/c17-9-5-6-11(18)10(7-9)14-8-22-16(21-14)15-19-12-3-1-2-4-13(12)20-15/h1-8H,(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole?
2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole has a molecular weight of 346.24 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 135692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).