1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one

C19H16ClF3N2O — CID 58137567

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C2=NCCN2)c1)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N2O/c20-17-5-4-13(11-16(17)19(21,22)23)10-15(26)9-12-2-1-3-14(8-12)18-24-6-7-25-18/h1-5,8,11H,6-7,9-10H2,(H,24,25)
InChIKeyCYLJGOVQLZHLRT-UHFFFAOYSA-N
MW380.80 g/mol
LogP4.06
Rot. Bonds5

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one (PubChem CID 58137567) has the molecular formula C19H16ClF3N2O and a molecular weight of 380.80 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
PubChem CID58137567
Molecular FormulaC19H16ClF3N2O
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C2=NCCN2)c1)Cc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N2O/c20-17-5-4-13(11-16(17)19(21,22)23)10-15(26)9-12-2-1-3-14(8-12)18-24-6-7-25-18/h1-5,8,11H,6-7,9-10H2,(H,24,25)
InChIKeyCYLJGOVQLZHLRT-UHFFFAOYSA-N
XLogP4.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one (CID 58137567) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one is O=C(Cc1cccc(C2=NCCN2)c1)Cc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The InChIKey is CYLJGOVQLZHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O/c20-17-5-4-13(11-16(17)19(21,22)23)10-15(26)9-12-2-1-3-14(8-12)18-24-6-7-25-18/h1-5,8,11H,6-7,9-10H2,(H,24,25).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one has a molecular weight of 380.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 58137567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).