1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole

C18H17F2N5OS — CID 51309827

IUPAC1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
SMILESCCn1c(SC(C)c2nc3ccccc3n2C(F)F)nnc1-c1ccco1
InChIInChI=1S/C18H17F2N5OS/c1-3-24-16(14-9-6-10-26-14)22-23-18(24)27-11(2)15-21-12-7-4-5-8-13(12)25(15)17(19)20/h4-11,17H,3H2,1-2H3
InChIKeyAAOOGGMQDZNNDU-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.16
Rot. Bonds6

About 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole

1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole (PubChem CID 51309827) has the molecular formula C18H17F2N5OS and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
PubChem CID51309827
Molecular FormulaC18H17F2N5OS
Molecular Weight389.43 g/mol
Exact Mass389.11
IUPAC Name1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
SMILESCCn1c(SC(C)c2nc3ccccc3n2C(F)F)nnc1-c1ccco1
InChIInChI=1S/C18H17F2N5OS/c1-3-24-16(14-9-6-10-26-14)22-23-18(24)27-11(2)15-21-12-7-4-5-8-13(12)25(15)17(19)20/h4-11,17H,3H2,1-2H3
InChIKeyAAOOGGMQDZNNDU-UHFFFAOYSA-N
XLogP5.16
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole with MolForge

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Related Compounds

3-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10161974
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1-ethyl-2-(furan-2-yl)-1H-benzo[d]imidazole
CID 962232
2-({[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
CID 662253
3-(Benzimidazol-1-ylmethyl)-6-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2975342
2-(Furan-2-yl)-1-(2-phenoxyethyl)benzimidazole
CID 800777
1H-Benzimidazole, 2,2'-(2,5-furandiyl)bis[1-methyl-
CID 78489
2-{5-[2-(1H-Benzoimidazol-2-yl)-ethyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-furan-2-ylmethyl-acetamide
CID 645937
1-(4-Allyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-carbazol-9-yl-propan-2-ol
CID 654999
2-({[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
CID 663255
2-({[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
CID 663286
2-(furan-2-yl)-1-((tetrahydrofuran-2-yl)methyl)-1H-imidazo[4,5-b]quinoxaline
CID 663543

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole (CID 51309827) is 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole is CCn1c(SC(C)c2nc3ccccc3n2C(F)F)nnc1-c1ccco1.
What is the InChIKey of 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The InChIKey is AAOOGGMQDZNNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5OS/c1-3-24-16(14-9-6-10-26-14)22-23-18(24)27-11(2)15-21-12-7-4-5-8-13(12)25(15)17(19)20/h4-11,17H,3H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole has a molecular weight of 389.43 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[1-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole is sourced from PubChem (CID 51309827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).