2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole

C24H31FN2 — CID 90224750

IUPAC2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)c1cc(C(C)C)c(-c2cc(F)ccc2C2=NCCN2)c(C(C)C)c1
InChIInChI=1S/C24H31FN2/c1-14(2)17-11-20(15(3)4)23(21(12-17)16(5)6)22-13-18(25)7-8-19(22)24-26-9-10-27-24/h7-8,11-16H,9-10H2,1-6H3,(H,26,27)
InChIKeyXYJXXKWSTCWHEQ-UHFFFAOYSA-N
MW366.52 g/mol
LogP6.21
Rot. Bonds5

About 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole

2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 90224750) has the molecular formula C24H31FN2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole
PubChem CID90224750
Molecular FormulaC24H31FN2
Molecular Weight366.52 g/mol
Exact Mass366.25
IUPAC Name2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)c1cc(C(C)C)c(-c2cc(F)ccc2C2=NCCN2)c(C(C)C)c1
InChIInChI=1S/C24H31FN2/c1-14(2)17-11-20(15(3)4)23(21(12-17)16(5)6)22-13-18(25)7-8-19(22)24-26-9-10-27-24/h7-8,11-16H,9-10H2,1-6H3,(H,26,27)
InChIKeyXYJXXKWSTCWHEQ-UHFFFAOYSA-N
XLogP6.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole (CID 90224750) is 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole is CC(C)c1cc(C(C)C)c(-c2cc(F)ccc2C2=NCCN2)c(C(C)C)c1.
What is the InChIKey of 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is XYJXXKWSTCWHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2/c1-14(2)17-11-20(15(3)4)23(21(12-17)16(5)6)22-13-18(25)7-8-19(22)24-26-9-10-27-24/h7-8,11-16H,9-10H2,1-6H3,(H,26,27).
What are the key properties of 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole?
2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 366.52 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90224750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).