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

C52H46F6N10O2 — CID 161266559

IUPAC2-[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
SMILESCCN(CC)Cc1cc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc(C(F)(F)F)c1.Cc1cn(-c2cc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H27F3N4O.C25H19F3N6O/c1-3-33(4-2)17-20-13-21(27(28,29)30)16-22(14-20)32-26(35)15-19-9-11-23(12-10-19)34-18-31-24-7-5-6-8-25(24)34;1-16-13-33(14-30-16)21-11-18(25(26,27)28)10-19(12-21)32-23(35)9-17-4-6-20(7-5-17)34-15-31-22-3-2-8-29-24(22)34/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,32,35);2-8,10-15H,9H2,1H3,(H,32,35)
InChIKeyVDGMBEIDSZGPMP-UHFFFAOYSA-N
MW957.00 g/mol
LogP11.18
Rot. Bonds13

About 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

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 (PubChem CID 161266559) has the molecular formula C52H46F6N10O2 and a molecular weight of 957.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161266559
Molecular FormulaC52H46F6N10O2
Molecular Weight957.00 g/mol
Exact Mass956.37
IUPAC Name2-[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
SMILESCCN(CC)Cc1cc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc(C(F)(F)F)c1.Cc1cn(-c2cc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C27H27F3N4O.C25H19F3N6O/c1-3-33(4-2)17-20-13-21(27(28,29)30)16-22(14-20)32-26(35)15-19-9-11-23(12-10-19)34-18-31-24-7-5-6-8-25(24)34;1-16-13-33(14-30-16)21-11-18(25(26,27)28)10-19(12-21)32-23(35)9-17-4-6-20(7-5-17)34-15-31-22-3-2-8-29-24(22)34/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,32,35);2-8,10-15H,9H2,1H3,(H,32,35)
InChIKeyVDGMBEIDSZGPMP-UHFFFAOYSA-N
XLogP11.18
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.00
LogP ≤ 511.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67021639
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]acetamide
CID 25066424
N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]-2-(4-imidazo[4,5-b]pyridin-3-yl-2-methylphenyl)acetamide
CID 67021612
N-[4-[3-(dimethylamino)prop-1-ynyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)acetamide
CID 11993289
2-amino-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 141158553
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 25065372
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
3,4-dimethyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;ethane
CID 162361882
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167820655
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 11993681
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)Cc1cc(NC(=O)Cc2ccc(-n3cnc4ccccc43)cc2)cc(C(F)(F)F)c1.Cc1cn(-c2cc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 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?
The InChIKey is VDGMBEIDSZGPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O.C25H19F3N6O/c1-3-33(4-2)17-20-13-21(27(28,29)30)16-22(14-20)32-26(35)15-19-9-11-23(12-10-19)34-18-31-24-7-5-6-8-25(24)34;1-16-13-33(14-30-16)21-11-18(25(26,27)28)10-19(12-21)32-23(35)9-17-4-6-20(7-5-17)34-15-31-22-3-2-8-29-24(22)34/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,32,35);2-8,10-15H,9H2,1H3,(H,32,35).
What are the key properties of 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?
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 has a molecular weight of 957.00 g/mol, XLogP of 11.18, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161266559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).