2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole

C12H8ClN3S — CID 63586553

IUPAC2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
SMILESClc1cccc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H8ClN3S/c13-10-6-3-7-11(16-10)17-12-14-8-4-1-2-5-9(8)15-12/h1-7H,(H,14,15)
InChIKeyINENGBWRNFCXBB-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.76
Rot. Bonds2

About 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole

2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole (PubChem CID 63586553) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
PubChem CID63586553
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
SMILESClc1cccc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H8ClN3S/c13-10-6-3-7-11(16-10)17-12-14-8-4-1-2-5-9(8)15-12/h1-7H,(H,14,15)
InChIKeyINENGBWRNFCXBB-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboxylic acid
CID 62240073
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-benzimidazole
CID 114562998
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 43260489
6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
6-(1H-benzimidazol-2-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80883058
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80883757
2-[(E)-2-chloroethenyl]sulfanyl-1H-benzimidazole
CID 131246595
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole (CID 63586553) is 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole is Clc1cccc(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
The InChIKey is INENGBWRNFCXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-10-6-3-7-11(16-10)17-12-14-8-4-1-2-5-9(8)15-12/h1-7H,(H,14,15).
What are the key properties of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole?
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole has a molecular weight of 261.74 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-benzimidazole is sourced from PubChem (CID 63586553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).