N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide

C21H19F4N3O — CID 138656728

IUPACN-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(F)ccc2n1C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H19F4N3O/c22-15-9-10-18-17(12-15)26-20(28(18)16-7-2-1-3-8-16)27-19(29)13-5-4-6-14(11-13)21(23,24)25/h4-6,9-12,16H,1-3,7-8H2,(H,26,27,29)
InChIKeyAYSMDHVGWVNJIB-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.95
Rot. Bonds3

About N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide

N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 138656728) has the molecular formula C21H19F4N3O and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID138656728
Molecular FormulaC21H19F4N3O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC NameN-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(F)ccc2n1C1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H19F4N3O/c22-15-9-10-18-17(12-15)26-20(28(18)16-7-2-1-3-8-16)27-19(29)13-5-4-6-14(11-13)21(23,24)25/h4-6,9-12,16H,1-3,7-8H2,(H,26,27,29)
InChIKeyAYSMDHVGWVNJIB-UHFFFAOYSA-N
XLogP5.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-methyl-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118396001
N-[5-methyl-1-[(1S,3S)-3-(prop-2-enoylamino)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 72700005
ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657003
N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688503
N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(1-oxothiolan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126720219
N-[1-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 138620591
N-[1-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
CID 159869270
N-[1-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]-5-fluorobenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
CID 159917259
3-N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzene-1,3-dicarboxamide
CID 164600976
N-(1-cyclohexylbenzimidazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 52655657
N-[5-fluoro-1-[(1S,3S)-3-(hydroxymethyl)cyclopentyl]benzimidazol-2-yl]-3-nitrobenzamide
CID 127034635
N-[7-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118223719

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide (CID 138656728) is N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(F)ccc2n1C1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is AYSMDHVGWVNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O/c22-15-9-10-18-17(12-15)26-20(28(18)16-7-2-1-3-8-16)27-19(29)13-5-4-6-14(11-13)21(23,24)25/h4-6,9-12,16H,1-3,7-8H2,(H,26,27,29).
What are the key properties of N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 405.40 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 138656728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).