2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone

C28H21F3N2O — CID 130330831

IUPAC2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n2cncc21
InChIInChI=1S/C28H21F3N2O/c1-18-25-16-32-17-33(25)24(27(18)22-5-3-2-4-6-22)15-26(34)21-9-7-19(8-10-21)20-11-13-23(14-12-20)28(29,30)31/h2-14,16-17,24H,15H2,1H3
InChIKeyWNIBOVDTDCURSY-UHFFFAOYSA-N
MW458.48 g/mol
LogP7.33
Rot. Bonds5

About 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone

2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone (PubChem CID 130330831) has the molecular formula C28H21F3N2O and a molecular weight of 458.48 g/mol. Its IUPAC name is 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
PubChem CID130330831
Molecular FormulaC28H21F3N2O
Molecular Weight458.48 g/mol
Exact Mass458.16
IUPAC Name2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCC1=C(c2ccccc2)C(CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n2cncc21
InChIInChI=1S/C28H21F3N2O/c1-18-25-16-32-17-33(25)24(27(18)22-5-3-2-4-6-22)15-26(34)21-9-7-19(8-10-21)20-11-13-23(14-12-20)28(29,30)31/h2-14,16-17,24H,15H2,1H3
InChIKeyWNIBOVDTDCURSY-UHFFFAOYSA-N
XLogP7.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]benzamide
CID 130300300
1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300540
2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102313327
CID 175394574
CID 175394574
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
2-[bromo(triphenyl)-λ5-phosphanyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 142893884
3-[(4-phenylbenzoyl)amino]-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 87913293
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
CID 66095873
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322
2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115779676
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone (CID 130330831) is 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone is CC1=C(c2ccccc2)C(CC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n2cncc21.
What is the InChIKey of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
The InChIKey is WNIBOVDTDCURSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O/c1-18-25-16-32-17-33(25)24(27(18)22-5-3-2-4-6-22)15-26(34)21-9-7-19(8-10-21)20-11-13-23(14-12-20)28(29,30)31/h2-14,16-17,24H,15H2,1H3.
What are the key properties of 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone?
2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone has a molecular weight of 458.48 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 130330831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).