2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole

C16H14F2N2OS — CID 60585452

IUPAC2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole
SMILESCC(Sc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2N2OS/c1-10(11-6-8-12(9-7-11)21-15(17)18)22-16-19-13-4-2-3-5-14(13)20-16/h2-10,15H,1H3,(H,19,20)
InChIKeyYVFVWIQNHXPRIC-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.02
Rot. Bonds5

About 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole

2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole (PubChem CID 60585452) has the molecular formula C16H14F2N2OS and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole
PubChem CID60585452
Molecular FormulaC16H14F2N2OS
Molecular Weight320.36 g/mol
Exact Mass320.08
IUPAC Name2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole
SMILESCC(Sc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F2N2OS/c1-10(11-6-8-12(9-7-11)21-15(17)18)22-16-19-13-4-2-3-5-14(13)20-16/h2-10,15H,1H3,(H,19,20)
InChIKeyYVFVWIQNHXPRIC-UHFFFAOYSA-N
XLogP5.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine
CID 6529655
5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 47148255
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
CID 2814568
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
1-(1H-benzimidazol-2-ylsulfanyl)-3-butoxypropan-2-ol
CID 107264062
1H-benzimidazol-2-yl(1H-benzimidazol-2-ylsulfanyl)methanethiol
CID 123438509
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole (CID 60585452) is 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole is CC(Sc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole?
The InChIKey is YVFVWIQNHXPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2OS/c1-10(11-6-8-12(9-7-11)21-15(17)18)22-16-19-13-4-2-3-5-14(13)20-16/h2-10,15H,1H3,(H,19,20).
What are the key properties of 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole?
2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole has a molecular weight of 320.36 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 60585452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).