2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol

C18H17ClN4OS — CID 4883267

IUPAC2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol
SMILESCc1ccc2nc(SCc3nc4ccc(Cl)cc4n3CCO)[nH]c2c1
InChIInChI=1S/C18H17ClN4OS/c1-11-2-4-13-15(8-11)22-18(21-13)25-10-17-20-14-5-3-12(19)9-16(14)23(17)6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,21,22)
InChIKeyKLFRTCIFVPQIDE-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.16
Rot. Bonds5

About 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol

2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol (PubChem CID 4883267) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol
PubChem CID4883267
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol
SMILESCc1ccc2nc(SCc3nc4ccc(Cl)cc4n3CCO)[nH]c2c1
InChIInChI=1S/C18H17ClN4OS/c1-11-2-4-13-15(8-11)22-18(21-13)25-10-17-20-14-5-3-12(19)9-16(14)23(17)6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,21,22)
InChIKeyKLFRTCIFVPQIDE-UHFFFAOYSA-N
XLogP4.16
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol with MolForge

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Related Compounds

2-[2-[(4-bromophenyl)sulfanylmethyl]-6-chlorobenzimidazol-1-yl]ethanol
CID 8544229
2-[6-chloro-2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol
CID 4832651
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzimidazol-1-yl]ethanol
CID 7995972
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-(6-methyl-1H-indazol-3-yl)ethanone
CID 144997221
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methylquinazolin-4-one
CID 34173298
2-[6-chloro-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol
CID 8787313
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methyl-1H-benzimidazole
CID 104514375
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophen-3-yl]prop-2-yn-1-ol
CID 62874931

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol (CID 4883267) is 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol is Cc1ccc2nc(SCc3nc4ccc(Cl)cc4n3CCO)[nH]c2c1.
What is the InChIKey of 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol?
The InChIKey is KLFRTCIFVPQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-11-2-4-13-15(8-11)22-18(21-13)25-10-17-20-14-5-3-12(19)9-16(14)23(17)6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,21,22).
What are the key properties of 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol?
2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol has a molecular weight of 372.88 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 4883267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).