N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

C18H20F2N4OS — CID 51261752

IUPACN-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1nc2ccccc2n1C(F)F)C1(C#N)CCCCC1
InChIInChI=1S/C18H20F2N4OS/c1-23(18(12-21)9-5-2-6-10-18)15(25)11-26-17-22-13-7-3-4-8-14(13)24(17)16(19)20/h3-4,7-8,16H,2,5-6,9-11H2,1H3
InChIKeyBWFBGNSKKBWNII-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.21
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (PubChem CID 51261752) has the molecular formula C18H20F2N4OS and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
PubChem CID51261752
Molecular FormulaC18H20F2N4OS
Molecular Weight378.45 g/mol
Exact Mass378.13
IUPAC NameN-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
SMILESCN(C(=O)CSc1nc2ccccc2n1C(F)F)C1(C#N)CCCCC1
InChIInChI=1S/C18H20F2N4OS/c1-23(18(12-21)9-5-2-6-10-18)15(25)11-26-17-22-13-7-3-4-8-14(13)24(17)16(19)20/h3-4,7-8,16H,2,5-6,9-11H2,1H3
InChIKeyBWFBGNSKKBWNII-UHFFFAOYSA-N
XLogP4.21
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7989191
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide (CID 51261752) is N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is CN(C(=O)CSc1nc2ccccc2n1C(F)F)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is BWFBGNSKKBWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4OS/c1-23(18(12-21)9-5-2-6-10-18)15(25)11-26-17-22-13-7-3-4-8-14(13)24(17)16(19)20/h3-4,7-8,16H,2,5-6,9-11H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 378.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 51261752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).