N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide

C22H24FN3O2S — CID 35397623

IUPACN-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C22H24FN3O2S/c1-25-18-12-17(24-21(27)15-10-6-7-11-16(15)23)20(13-19(18)26(2)22(25)28)29-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,24,27)
InChIKeyHJDZQNKUUWCVID-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.69
Rot. Bonds4

About N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide

N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide (PubChem CID 35397623) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide
PubChem CID35397623
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C22H24FN3O2S/c1-25-18-12-17(24-21(27)15-10-6-7-11-16(15)23)20(13-19(18)26(2)22(25)28)29-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,24,27)
InChIKeyHJDZQNKUUWCVID-UHFFFAOYSA-N
XLogP4.69
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925
1-(2-Fluorophenyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
CID 16016653
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 6458673
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
CID 6473670
N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]-4-fluorobenzamide
CID 2982904
N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-2,3-dihydroindole-1-carboxamide
CID 6623714
N-[7-(Cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-YL]-3-fluorobenzamide
CID 35397435
N-[7-(Cyclohexanesulfonyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-YL]-4-fluorobenzamide
CID 46249691
N-[1,3-Diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773109
N-[1,3-Dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-4-fluorobenzamide
CID 50773270
N-[1,3-Dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773470
N-[6-(Benzenesulfonyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 50824186

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide?
The IUPAC name of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide (CID 35397623) is N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide is Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccccc3F)cc21.
What is the InChIKey of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide?
The InChIKey is HJDZQNKUUWCVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-25-18-12-17(24-21(27)15-10-6-7-11-16(15)23)20(13-19(18)26(2)22(25)28)29-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,24,27).
What are the key properties of N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide?
N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 35397623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).