N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide

C22H22F3N3O — CID 46886300

IUPACN-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1
InChIInChI=1S/C22H22F3N3O/c1-14(29)26-17-10-7-15(8-11-17)21-27-19-13-16(22(23,24)25)9-12-20(19)28(21)18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H,26,29)
InChIKeyGXJIGAVSRDGBGV-UHFFFAOYSA-N
MW401.43 g/mol
LogP6.19
Rot. Bonds3

About N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide

N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide (PubChem CID 46886300) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
PubChem CID46886300
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC NameN-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1
InChIInChI=1S/C22H22F3N3O/c1-14(29)26-17-10-7-15(8-11-17)21-27-19-13-16(22(23,24)25)9-12-20(19)28(21)18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H,26,29)
InChIKeyGXJIGAVSRDGBGV-UHFFFAOYSA-N
XLogP6.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide (CID 46886300) is N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1.
What is the InChIKey of N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is GXJIGAVSRDGBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-14(29)26-17-10-7-15(8-11-17)21-27-19-13-16(22(23,24)25)9-12-20(19)28(21)18-5-3-2-4-6-18/h7-13,18H,2-6H2,1H3,(H,26,29).
What are the key properties of N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide?
N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 401.43 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 46886300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).