2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

C17H12F2N4OS — CID 16625010

IUPAC2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)n1c(CSc2nnc(-c3ccccc3)o2)nc2ccccc21
InChIInChI=1S/C17H12F2N4OS/c18-16(19)23-13-9-5-4-8-12(13)20-14(23)10-25-17-22-21-15(24-17)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyPQSDMPCFAKZUPO-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.77
Rot. Bonds5

About 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole

2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 16625010) has the molecular formula C17H12F2N4OS and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID16625010
Molecular FormulaC17H12F2N4OS
Molecular Weight358.37 g/mol
Exact Mass358.07
IUPAC Name2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)n1c(CSc2nnc(-c3ccccc3)o2)nc2ccccc21
InChIInChI=1S/C17H12F2N4OS/c18-16(19)23-13-9-5-4-8-12(13)20-14(23)10-25-17-22-21-15(24-17)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKeyPQSDMPCFAKZUPO-UHFFFAOYSA-N
XLogP4.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinazolin-4-one
CID 35428288
1-(difluoromethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzimidazole
CID 35040384
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 35499450
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 24629613
2-[(2-chloroquinolin-3-yl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 40764009
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-[[1-(2-phenylethyl)benzimidazol-2-yl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 3568203
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(2-phenylethyl)quinazolin-4-one
CID 17432170
2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
1-(difluoromethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
CID 38862892
1-(difluoromethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole
CID 16625311
1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 24629504

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole (CID 16625010) is 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is FC(F)n1c(CSc2nnc(-c3ccccc3)o2)nc2ccccc21.
What is the InChIKey of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PQSDMPCFAKZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4OS/c18-16(19)23-13-9-5-4-8-12(13)20-14(23)10-25-17-22-21-15(24-17)11-6-2-1-3-7-11/h1-9,16H,10H2.
What are the key properties of 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole?
2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 358.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 16625010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).