N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole

C43H33F6N5O2 — CID 157281444

IUPACN,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole
SMILESCN(C)Cc1[nH]c(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc1-c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(-c2ncc(-c3ccccc3)[nH]2)o1
InChIInChI=1S/C23H20F3N3O.C20H13F3N2O/c1-29(2)14-18-21(15-8-4-3-5-9-15)28-22(27-18)20-13-12-19(30-20)16-10-6-7-11-17(16)23(24,25)26;21-20(22,23)15-9-5-4-8-14(15)17-10-11-18(26-17)19-24-12-16(25-19)13-6-2-1-3-7-13/h3-13H,14H2,1-2H3,(H,27,28);1-12H,(H,24,25)
InChIKeyAZSFRDLFTSKJOG-UHFFFAOYSA-N
MW765.76 g/mol
LogP12.11
Rot. Bonds8

About N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole

N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole (PubChem CID 157281444) has the molecular formula C43H33F6N5O2 and a molecular weight of 765.76 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole
PubChem CID157281444
Molecular FormulaC43H33F6N5O2
Molecular Weight765.76 g/mol
Exact Mass765.25
IUPAC NameN,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole
SMILESCN(C)Cc1[nH]c(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc1-c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(-c2ncc(-c3ccccc3)[nH]2)o1
InChIInChI=1S/C23H20F3N3O.C20H13F3N2O/c1-29(2)14-18-21(15-8-4-3-5-9-15)28-22(27-18)20-13-12-19(30-20)16-10-6-7-11-17(16)23(24,25)26;21-20(22,23)15-9-5-4-8-14(15)17-10-11-18(26-17)19-24-12-16(25-19)13-6-2-1-3-7-13/h3-13H,14H2,1-2H3,(H,27,28);1-12H,(H,24,25)
InChIKeyAZSFRDLFTSKJOG-UHFFFAOYSA-N
XLogP12.11
TPSA86.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.76
LogP ≤ 512.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US11053243, Example 193
CID 66697453
6-fluoro-2-[5-[[4-[[4-[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
CID 155542473
2-[2-(5-carbamimidoylbenzofuran-2-yl)-1H-imidazol-5-yl]benzofuran-5-carboxamidine
CID 3010580
[2-Benzyl-4-[3-[[3-[(5-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]pyrrolidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 18687546
2-(1-benzofuran-2-yl)-5-phenyl-1H-imidazole
CID 44588577
2-[5-[[4-[[4-[4-[[1-[[5-(1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
CID 155545738
3'-[2-(2-furyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5'-phenyl-1H,3'H-4,4'-biimidazole
CID 50952622
4-(2-methylphenyl)-2-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1H-imidazole
CID 121386421
5-(o-tolyl)-2-[5-[2-(trifluoromethoxy)phenyl]-2-furyl]-1H-imidazole
CID 121386557
2-[5-(3-fluoro-2-methyl-phenyl)-2-furyl]-5-methyl-4-phenyl-1H-imidazole
CID 121386601
5-(5-ethyl-2-furyl)-1-(1H-imidazol-2-ylmethyl)-4-phenyl-1H-imidazole
CID 50967044
2-(2-{2-[5-(2-fluorophenyl)-2-furyl]-1H-imidazol-1-yl}ethyl)pyrazine
CID 56867488

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
The IUPAC name of N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole (CID 157281444) is N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole.
What is the SMILES notation for N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
The canonical SMILES for N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole is CN(C)Cc1[nH]c(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc1-c1ccccc1.FC(F)(F)c1ccccc1-c1ccc(-c2ncc(-c3ccccc3)[nH]2)o1.
What is the InChIKey of N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
The InChIKey is AZSFRDLFTSKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O.C20H13F3N2O/c1-29(2)14-18-21(15-8-4-3-5-9-15)28-22(27-18)20-13-12-19(30-20)16-10-6-7-11-17(16)23(24,25)26;21-20(22,23)15-9-5-4-8-14(15)17-10-11-18(26-17)19-24-12-16(25-19)13-6-2-1-3-7-13/h3-13H,14H2,1-2H3,(H,27,28);1-12H,(H,24,25).
What are the key properties of N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole?
N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole has a molecular weight of 765.76 g/mol, XLogP of 12.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazol-5-yl]methanamine;5-phenyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]-1H-imidazole is sourced from PubChem (CID 157281444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).