1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole

C17H14F2N6S — CID 16625171

IUPAC1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
SMILESCc1cccc(-n2nnnc2SCc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C17H14F2N6S/c1-11-5-4-6-12(9-11)25-17(21-22-23-25)26-10-15-20-13-7-2-3-8-14(13)24(15)16(18)19/h2-9,16H,10H2,1H3
InChIKeyRTAUOUQRARMNFB-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.01
Rot. Bonds5

About 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole

1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole (PubChem CID 16625171) has the molecular formula C17H14F2N6S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
PubChem CID16625171
Molecular FormulaC17H14F2N6S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
SMILESCc1cccc(-n2nnnc2SCc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C17H14F2N6S/c1-11-5-4-6-12(9-11)25-17(21-22-23-25)26-10-15-20-13-7-2-3-8-14(13)24(15)16(18)19/h2-9,16H,10H2,1H3
InChIKeyRTAUOUQRARMNFB-UHFFFAOYSA-N
XLogP4.01
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 16625090
1-(difluoromethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole
CID 16625311
3-(2-methylphenyl)-5-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 29461012
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216820
1-(3-chlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]tetrazole
CID 8859943
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 24629613
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 16624113
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 21178908
1-(3-methylphenyl)-5-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]tetrazole
CID 60526581
1-(difluoromethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole
CID 38862892
1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 24629504
5-(2-chlorophenyl)-3-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661602

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole (CID 16625171) is 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole is Cc1cccc(-n2nnnc2SCc2nc3ccccc3n2C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The InChIKey is RTAUOUQRARMNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6S/c1-11-5-4-6-12(9-11)25-17(21-22-23-25)26-10-15-20-13-7-2-3-8-14(13)24(15)16(18)19/h2-9,16H,10H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole has a molecular weight of 372.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole is sourced from PubChem (CID 16625171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).