1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole

C19H18F2N4OS — CID 24629504

IUPAC1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
SMILESCOCCn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc21
InChIInChI=1S/C19H18F2N4OS/c1-26-11-10-24-15-8-4-2-6-13(15)23-19(24)27-12-17-22-14-7-3-5-9-16(14)25(17)18(20)21/h2-9,18H,10-12H2,1H3
InChIKeyOBWRVJQFJYNUGS-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.72
Rot. Bonds7

About 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole

1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole (PubChem CID 24629504) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
PubChem CID24629504
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
SMILESCOCCn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc21
InChIInChI=1S/C19H18F2N4OS/c1-26-11-10-24-15-8-4-2-6-13(15)23-19(24)27-12-17-22-14-7-3-5-9-16(14)25(17)18(20)21/h2-9,18H,10-12H2,1H3
InChIKeyOBWRVJQFJYNUGS-UHFFFAOYSA-N
XLogP4.72
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 16624998
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 24629613
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 32830038
1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
CID 60586302
7-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 16624371
6-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17467601
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
4-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 31932042
2-[2-(benzenesulfonyl)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 37133115

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole (CID 24629504) is 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole is COCCn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc21.
What is the InChIKey of 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
The InChIKey is OBWRVJQFJYNUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4OS/c1-26-11-10-24-15-8-4-2-6-13(15)23-19(24)27-12-17-22-14-7-3-5-9-16(14)25(17)18(20)21/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole?
1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole has a molecular weight of 388.44 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole is sourced from PubChem (CID 24629504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).