1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole

C19H18F2N4S — CID 46601697

IUPAC1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole
SMILESCCn1c(SC(C)c2nc3ccccc3n2C(F)F)nc2ccccc21
InChIInChI=1S/C19H18F2N4S/c1-3-24-15-10-6-4-8-13(15)23-19(24)26-12(2)17-22-14-9-5-7-11-16(14)25(17)18(20)21/h4-12,18H,3H2,1-2H3
InChIKeyRLSUDFMQCVMONP-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.65
Rot. Bonds5

About 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole

1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole (PubChem CID 46601697) has the molecular formula C19H18F2N4S and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole
PubChem CID46601697
Molecular FormulaC19H18F2N4S
Molecular Weight372.44 g/mol
Exact Mass372.12
IUPAC Name1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole
SMILESCCn1c(SC(C)c2nc3ccccc3n2C(F)F)nc2ccccc21
InChIInChI=1S/C19H18F2N4S/c1-3-24-15-10-6-4-8-13(15)23-19(24)26-12(2)17-22-14-9-5-7-11-16(14)25(17)18(20)21/h4-12,18H,3H2,1-2H3
InChIKeyRLSUDFMQCVMONP-UHFFFAOYSA-N
XLogP5.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 17438456
2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylsulfanyl]-1,3-benzothiazole
CID 46558362
1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 51929269
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
1-(difluoromethyl)-2-[(1S)-1-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 51878865
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanylbutanoic acid
CID 751743
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
(2S)-1-(4-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7171396

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole (CID 46601697) is 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole is CCn1c(SC(C)c2nc3ccccc3n2C(F)F)nc2ccccc21.
What is the InChIKey of 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole?
The InChIKey is RLSUDFMQCVMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4S/c1-3-24-15-10-6-4-8-13(15)23-19(24)26-12(2)17-22-14-9-5-7-11-16(14)25(17)18(20)21/h4-12,18H,3H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole?
1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole has a molecular weight of 372.44 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]benzimidazole is sourced from PubChem (CID 46601697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).