6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole

C11H7ClN2OS — CID 141163646

IUPAC6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
SMILESClc1ccc2nc(Sc3ccco3)[nH]c2c1
InChIInChI=1S/C11H7ClN2OS/c12-7-3-4-8-9(6-7)14-11(13-8)16-10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyBCNSIPUEQGAPRC-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.96
Rot. Bonds2

About 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole

6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole (PubChem CID 141163646) has the molecular formula C11H7ClN2OS and a molecular weight of 250.71 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
PubChem CID141163646
Molecular FormulaC11H7ClN2OS
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole
SMILESClc1ccc2nc(Sc3ccco3)[nH]c2c1
InChIInChI=1S/C11H7ClN2OS/c12-7-3-4-8-9(6-7)14-11(13-8)16-10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyBCNSIPUEQGAPRC-UHFFFAOYSA-N
XLogP3.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41036687
6-chloro-2-(4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 78844133
6-chloro-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1H-benzimidazole
CID 133416039
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 36688844
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
2-[(5-chloro-2-pyridinyl)sulfanyl]-3H-benzimidazol-5-amine
CID 61371231
4-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-6-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one
CID 10150039
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 5145216

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole (CID 141163646) is 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole is Clc1ccc2nc(Sc3ccco3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
The InChIKey is BCNSIPUEQGAPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2OS/c12-7-3-4-8-9(6-7)14-11(13-8)16-10-2-1-5-15-10/h1-6H,(H,13,14).
What are the key properties of 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole?
6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole has a molecular weight of 250.71 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-ylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 141163646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).