N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine

C23H26F4N4O2 — CID 118096485

IUPACN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
SMILESCNC.O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C21H19F4N3O2.C2H7N/c22-16-11-14(30-21(23,24)25)7-8-15(16)20(29)26-13-6-9-17-18(10-13)28-19(27-17)12-4-2-1-3-5-12;1-3-2/h6-12H,1-5H2,(H,26,29)(H,27,28);3H,1-2H3
InChIKeyIKEGKHUHPYPXJC-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.74
Rot. Bonds4

About N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine (PubChem CID 118096485) has the molecular formula C23H26F4N4O2 and a molecular weight of 466.48 g/mol. Its IUPAC name is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine.

Molecular Properties

Compound NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
PubChem CID118096485
Molecular FormulaC23H26F4N4O2
Molecular Weight466.48 g/mol
Exact Mass466.20
IUPAC NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
SMILESCNC.O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C21H19F4N3O2.C2H7N/c22-16-11-14(30-21(23,24)25)7-8-15(16)20(29)26-13-6-9-17-18(10-13)28-19(27-17)12-4-2-1-3-5-12;1-3-2/h6-12H,1-5H2,(H,26,29)(H,27,28);3H,1-2H3
InChIKeyIKEGKHUHPYPXJC-UHFFFAOYSA-N
XLogP5.74
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
CID 118096420
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
CID 47825987
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
2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
CID 119183366
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-(trifluoromethoxy)benzamide;N-methylmethanamine?
The IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine (CID 118096485) is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine.
What is the SMILES notation for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine?
The canonical SMILES for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine is CNC.O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(OC(F)(F)F)cc1F.
What is the InChIKey of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine?
The InChIKey is IKEGKHUHPYPXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2.C2H7N/c22-16-11-14(30-21(23,24)25)7-8-15(16)20(29)26-13-6-9-17-18(10-13)28-19(27-17)12-4-2-1-3-5-12;1-3-2/h6-12H,1-5H2,(H,26,29)(H,27,28);3H,1-2H3.
What are the key properties of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine?
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine has a molecular weight of 466.48 g/mol, XLogP of 5.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine is sourced from PubChem (CID 118096485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).