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

C9H5BrN4S — CID 65215997

IUPAC4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole
SMILESBrc1ccc2nc(-c3csnn3)[nH]c2c1
InChIInChI=1S/C9H5BrN4S/c10-5-1-2-6-7(3-5)12-9(11-6)8-4-15-14-13-8/h1-4H,(H,11,12)
InChIKeyCENCGNMTUCPVKG-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.84
Rot. Bonds1

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

4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole (PubChem CID 65215997) has the molecular formula C9H5BrN4S and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole
PubChem CID65215997
Molecular FormulaC9H5BrN4S
Molecular Weight281.14 g/mol
Exact Mass279.94
IUPAC Name4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole
SMILESBrc1ccc2nc(-c3csnn3)[nH]c2c1
InChIInChI=1S/C9H5BrN4S/c10-5-1-2-6-7(3-5)12-9(11-6)8-4-15-14-13-8/h1-4H,(H,11,12)
InChIKeyCENCGNMTUCPVKG-UHFFFAOYSA-N
XLogP2.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)thiadiazole
CID 60980804
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
CID 107963330
5-(6-bromo-1H-benzimidazol-2-yl)thiophen-2-amine
CID 60785682
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909112
6-(6-bromo-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64725155
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
CID 13004842
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-bromo-2-(1,3-dihydro-2-benzofuran-5-yl)-1H-benzimidazole
CID 64723325

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole?
The IUPAC name of 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole (CID 65215997) is 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole.
What is the SMILES notation for 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole?
The canonical SMILES for 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole is Brc1ccc2nc(-c3csnn3)[nH]c2c1.
What is the InChIKey of 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole?
The InChIKey is CENCGNMTUCPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4S/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-bromo-1H-benzimidazol-2-yl)thiadiazole?
4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole has a molecular weight of 281.14 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-1H-benzimidazol-2-yl)thiadiazole is sourced from PubChem (CID 65215997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).