N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine

C23H25F5N4O — CID 118096420

IUPACN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
SMILESCNC.O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C21H18F5N3O.C2H7N/c22-17-13(7-8-14(18(17)23)21(24,25)26)20(30)27-12-6-9-15-16(10-12)29-19(28-15)11-4-2-1-3-5-11;1-3-2/h6-11H,1-5H2,(H,27,30)(H,28,29);3H,1-2H3
InChIKeyLGRUENZOTHQXBE-UHFFFAOYSA-N
MW468.47 g/mol
LogP6.00
Rot. Bonds3

About N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine (PubChem CID 118096420) has the molecular formula C23H25F5N4O and a molecular weight of 468.47 g/mol. Its IUPAC name is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine.

Molecular Properties

Compound NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
PubChem CID118096420
Molecular FormulaC23H25F5N4O
Molecular Weight468.47 g/mol
Exact Mass468.19
IUPAC NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
SMILESCNC.O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C21H18F5N3O.C2H7N/c22-17-13(7-8-14(18(17)23)21(24,25)26)20(30)27-12-6-9-15-16(10-12)29-19(28-15)11-4-2-1-3-5-11;1-3-2/h6-11H,1-5H2,(H,27,30)(H,28,29);3H,1-2H3
InChIKeyLGRUENZOTHQXBE-UHFFFAOYSA-N
XLogP6.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.47
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide
CID 118096469
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
CID 118096485
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
(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
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
CID 119872008

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine?
The IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine (CID 118096420) is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine.
What is the SMILES notation for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine?
The canonical SMILES for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine is CNC.O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine?
The InChIKey is LGRUENZOTHQXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N3O.C2H7N/c22-17-13(7-8-14(18(17)23)21(24,25)26)20(30)27-12-6-9-15-16(10-12)29-19(28-15)11-4-2-1-3-5-11;1-3-2/h6-11H,1-5H2,(H,27,30)(H,28,29);3H,1-2H3.
What are the key properties of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine?
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine has a molecular weight of 468.47 g/mol, XLogP of 6.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine is sourced from PubChem (CID 118096420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).