2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole

C21H14F6N2 — CID 22083544

IUPAC2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cc(-c2ccc3cc(C4=NCCN4)ccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H14F6N2/c22-20(23,24)17-9-16(10-18(11-17)21(25,26)27)14-2-1-13-8-15(4-3-12(13)7-14)19-28-5-6-29-19/h1-4,7-11H,5-6H2,(H,28,29)
InChIKeyIBGQPPUGTMQALE-UHFFFAOYSA-N
MW408.35 g/mol
LogP5.89
Rot. Bonds2

About 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole

2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 22083544) has the molecular formula C21H14F6N2 and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID22083544
Molecular FormulaC21H14F6N2
Molecular Weight408.35 g/mol
Exact Mass408.11
IUPAC Name2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)c1cc(-c2ccc3cc(C4=NCCN4)ccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H14F6N2/c22-20(23,24)17-9-16(10-18(11-17)21(25,26)27)14-2-1-13-8-15(4-3-12(13)7-14)19-28-5-6-29-19/h1-4,7-11H,5-6H2,(H,28,29)
InChIKeyIBGQPPUGTMQALE-UHFFFAOYSA-N
XLogP5.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.35
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole (CID 22083544) is 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole is FC(F)(F)c1cc(-c2ccc3cc(C4=NCCN4)ccc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is IBGQPPUGTMQALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N2/c22-20(23,24)17-9-16(10-18(11-17)21(25,26)27)14-2-1-13-8-15(4-3-12(13)7-14)19-28-5-6-29-19/h1-4,7-11H,5-6H2,(H,28,29).
What are the key properties of 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole?
2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 408.35 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22083544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).