N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane

C53H43F4N7O3 — CID 145233756

IUPACN-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane
SMILESCC.O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)[nH]1.O=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C26H20F2N4O.C25H17F2N3O2.C2H6/c27-19-7-3-5-16(11-19)25-26(17-6-4-8-20(28)12-17)32-23(31-25)15-30-24(33)13-18-14-29-22-10-2-1-9-21(18)22;26-18-7-3-5-15(11-18)22-23(16-6-4-8-19(27)12-16)32-25(30-22)24(31)29-14-17-13-28-21-10-2-1-9-20(17)21;1-2/h1-12,14,29H,13,15H2,(H,30,33)(H,31,32);1-13,28H,14H2,(H,29,31);1-2H3
InChIKeyALOJDFMZJJEUTO-UHFFFAOYSA-N
MW901.97 g/mol
LogP12.09
Rot. Bonds11

About N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane

N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane (PubChem CID 145233756) has the molecular formula C53H43F4N7O3 and a molecular weight of 901.97 g/mol. Its IUPAC name is N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane
PubChem CID145233756
Molecular FormulaC53H43F4N7O3
Molecular Weight901.97 g/mol
Exact Mass901.34
IUPAC NameN-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane
SMILESCC.O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)[nH]1.O=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C26H20F2N4O.C25H17F2N3O2.C2H6/c27-19-7-3-5-16(11-19)25-26(17-6-4-8-20(28)12-17)32-23(31-25)15-30-24(33)13-18-14-29-22-10-2-1-9-21(18)22;26-18-7-3-5-15(11-18)22-23(16-6-4-8-19(27)12-16)32-25(30-22)24(31)29-14-17-13-28-21-10-2-1-9-20(17)21;1-2/h1-12,14,29H,13,15H2,(H,30,33)(H,31,32);1-13,28H,14H2,(H,29,31);1-2H3
InChIKeyALOJDFMZJJEUTO-UHFFFAOYSA-N
XLogP12.09
TPSA144.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.97
LogP ≤ 512.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
benzyl (S)-1-((S)-1-((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-ylamino)-1-oxo-4-phenylbutan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-ylcarbamate
CID 44563624
(2R)-2-(dimethylamino)-1-[(2S)-2-[6-[2-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-3-fluorophenyl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 58384745
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-1-[5-(4-fluorophenyl)-2-oxopentyl]-3-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indole-2-carboxamide
CID 58483918
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 59449987
(2S)-N-[2-fluoro-4-[5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 59450020
(2S)-N-[2-fluoro-4-[5-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 68062206
(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-2-fluorophenyl]pyrrolidin-1-ium-2-carboxamide
CID 87471825
1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 90297807
(2R)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1,3-oxazol-2-yl]-2-fluorophenyl]-2-methylpyrrolidin-1-ium-1-carboxamide
CID 91805236

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane?
The IUPAC name of N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane (CID 145233756) is N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane.
What is the SMILES notation for N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane?
The canonical SMILES for N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane is CC.O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)[nH]1.O=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1.
What is the InChIKey of N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane?
The InChIKey is ALOJDFMZJJEUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O.C25H17F2N3O2.C2H6/c27-19-7-3-5-16(11-19)25-26(17-6-4-8-20(28)12-17)32-23(31-25)15-30-24(33)13-18-14-29-22-10-2-1-9-21(18)22;26-18-7-3-5-15(11-18)22-23(16-6-4-8-19(27)12-16)32-25(30-22)24(31)29-14-17-13-28-21-10-2-1-9-20(17)21;1-2/h1-12,14,29H,13,15H2,(H,30,33)(H,31,32);1-13,28H,14H2,(H,29,31);1-2H3.
What are the key properties of N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane?
N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane has a molecular weight of 901.97 g/mol, XLogP of 12.09, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(3-fluorophenyl)-1H-imidazol-2-yl]methyl]-2-(1H-indol-3-yl)acetamide;4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide;ethane is sourced from PubChem (CID 145233756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).