2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide

C28H30F3N5O — CID 11993681

IUPAC2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)CCCN(C)c1ccc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F
InChIInChI=1S/C28H30F3N5O/c1-34(2)15-6-16-35(3)25-14-11-21(18-23(25)28(29,30)31)33-27(37)17-20-9-12-22(13-10-20)36-19-32-24-7-4-5-8-26(24)36/h4-5,7-14,18-19H,6,15-17H2,1-3H3,(H,33,37)
InChIKeyNFLQTUOTKNYVBZ-UHFFFAOYSA-N
MW509.58 g/mol
LogP5.61
Rot. Bonds9

About 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide

2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 11993681) has the molecular formula C28H30F3N5O and a molecular weight of 509.58 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID11993681
Molecular FormulaC28H30F3N5O
Molecular Weight509.58 g/mol
Exact Mass509.24
IUPAC Name2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)CCCN(C)c1ccc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F
InChIInChI=1S/C28H30F3N5O/c1-34(2)15-6-16-35(3)25-14-11-21(18-23(25)28(29,30)31)33-27(37)17-20-9-12-22(13-10-20)36-19-32-24-7-4-5-8-26(24)36/h4-5,7-14,18-19H,6,15-17H2,1-3H3,(H,33,37)
InChIKeyNFLQTUOTKNYVBZ-UHFFFAOYSA-N
XLogP5.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67021639
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 25065372
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
CID 67315553
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]acetamide
CID 25066424
N-[4-[3-(dimethylamino)prop-1-ynyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)acetamide
CID 11993289
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-[3-(dimethylamino)propyl-methylamino]benzimidazol-1-yl]phenyl]acetamide
CID 156704755
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]acetamide;2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 161266559
7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide (CID 11993681) is 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide is CN(C)CCCN(C)c1ccc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NFLQTUOTKNYVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O/c1-34(2)15-6-16-35(3)25-14-11-21(18-23(25)28(29,30)31)33-27(37)17-20-9-12-22(13-10-20)36-19-32-24-7-4-5-8-26(24)36/h4-5,7-14,18-19H,6,15-17H2,1-3H3,(H,33,37).
What are the key properties of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 509.58 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11993681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).