4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole

C9H5ClN4S — CID 60980804

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole
SMILESClc1ccc2nc(-c3csnn3)[nH]c2c1
InChIInChI=1S/C9H5ClN4S/c10-5-1-2-6-7(3-5)12-9(11-6)8-4-15-14-13-8/h1-4H,(H,11,12)
InChIKeyGWDRWOKWHRRHFK-UHFFFAOYSA-N
MW236.69 g/mol
LogP2.73
Rot. Bonds1

About 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole

4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole (PubChem CID 60980804) has the molecular formula C9H5ClN4S and a molecular weight of 236.69 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole
PubChem CID60980804
Molecular FormulaC9H5ClN4S
Molecular Weight236.69 g/mol
Exact Mass235.99
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole
SMILESClc1ccc2nc(-c3csnn3)[nH]c2c1
InChIInChI=1S/C9H5ClN4S/c10-5-1-2-6-7(3-5)12-9(11-6)8-4-15-14-13-8/h1-4H,(H,11,12)
InChIKeyGWDRWOKWHRRHFK-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole
CID 65215997
[4-(6-chloro-1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380670
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
6-chloro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole
CID 80744714
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
CID 139915272
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole (CID 60980804) is 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole is Clc1ccc2nc(-c3csnn3)[nH]c2c1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole?
The InChIKey is GWDRWOKWHRRHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4S/c10-5-1-2-6-7(3-5)12-9(11-6)8-4-15-14-13-8/h1-4H,(H,11,12).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole?
4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole has a molecular weight of 236.69 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole is sourced from PubChem (CID 60980804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).