N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide

C23H15F4N3O — CID 163368839

IUPACN-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cn1-c1cccc(F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F4N3O/c24-18-7-4-8-19(13-18)30-14-20(15-5-2-1-3-6-15)28-22(30)29-21(31)16-9-11-17(12-10-16)23(25,26)27/h1-14H,(H,28,29,31)
InChIKeyCMMRCSXAKVXYME-UHFFFAOYSA-N
MW425.39 g/mol
LogP5.95
Rot. Bonds4

About N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide

N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 163368839) has the molecular formula C23H15F4N3O and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID163368839
Molecular FormulaC23H15F4N3O
Molecular Weight425.39 g/mol
Exact Mass425.12
IUPAC NameN-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cn1-c1cccc(F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F4N3O/c24-18-7-4-8-19(13-18)30-14-20(15-5-2-1-3-6-15)28-22(30)29-21(31)16-9-11-17(12-10-16)23(25,26)27/h1-14H,(H,28,29,31)
InChIKeyCMMRCSXAKVXYME-UHFFFAOYSA-N
XLogP5.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.39
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide (CID 163368839) is N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccccc2)cn1-c1cccc(F)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is CMMRCSXAKVXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O/c24-18-7-4-8-19(13-18)30-14-20(15-5-2-1-3-6-15)28-22(30)29-21(31)16-9-11-17(12-10-16)23(25,26)27/h1-14H,(H,28,29,31).
What are the key properties of N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide?
N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 425.39 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 163368839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).