3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide

C26H20F3N5O — CID 44523602

IUPAC3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C26H20F3N5O/c27-26(28,29)19-7-9-22-23(13-19)34-25(33-22)18-5-1-3-16(11-18)17-4-2-6-20(12-17)32-24(35)10-8-21-14-30-15-31-21/h1-7,9,11-15H,8,10H2,(H,30,31)(H,32,35)(H,33,34)
InChIKeyKEWIOZZGSINSIU-UHFFFAOYSA-N
MW475.47 g/mol
LogP6.21
Rot. Bonds6

About 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide

3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide (PubChem CID 44523602) has the molecular formula C26H20F3N5O and a molecular weight of 475.47 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
PubChem CID44523602
Molecular FormulaC26H20F3N5O
Molecular Weight475.47 g/mol
Exact Mass475.16
IUPAC Name3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
SMILESO=C(CCc1cnc[nH]1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C26H20F3N5O/c27-26(28,29)19-7-9-22-23(13-19)34-25(33-22)18-5-1-3-16(11-18)17-4-2-6-20(12-17)32-24(35)10-8-21-14-30-15-31-21/h1-7,9,11-15H,8,10H2,(H,30,31)(H,32,35)(H,33,34)
InChIKeyKEWIOZZGSINSIU-UHFFFAOYSA-N
XLogP6.21
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide (CID 44523602) is 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide is O=C(CCc1cnc[nH]1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
The InChIKey is KEWIOZZGSINSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O/c27-26(28,29)19-7-9-22-23(13-19)34-25(33-22)18-5-1-3-16(11-18)17-4-2-6-20(12-17)32-24(35)10-8-21-14-30-15-31-21/h1-7,9,11-15H,8,10H2,(H,30,31)(H,32,35)(H,33,34).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide has a molecular weight of 475.47 g/mol, XLogP of 6.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide is sourced from PubChem (CID 44523602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).