N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide

C21H19F4N3O — CID 118096469

IUPACN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C21H19F4N3O/c22-16-10-13(21(23,24)25)6-8-15(16)20(29)26-14-7-9-17-18(11-14)28-19(27-17)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,26,29)(H,27,28)
InChIKeyNTRVVUHBADXYHB-UHFFFAOYSA-N
MW405.40 g/mol
LogP6.02
Rot. Bonds3

About N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 118096469) has the molecular formula C21H19F4N3O and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide
PubChem CID118096469
Molecular FormulaC21H19F4N3O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C21H19F4N3O/c22-16-10-13(21(23,24)25)6-8-15(16)20(29)26-14-7-9-17-18(11-14)28-19(27-17)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,26,29)(H,27,28)
InChIKeyNTRVVUHBADXYHB-UHFFFAOYSA-N
XLogP6.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
CID 118096485
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
CID 118096420
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
[(3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexyl]carbamic acid
CID 68552156
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide (CID 118096469) is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide is O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is NTRVVUHBADXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O/c22-16-10-13(21(23,24)25)6-8-15(16)20(29)26-14-7-9-17-18(11-14)28-19(27-17)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,26,29)(H,27,28).
What are the key properties of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 405.40 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).