2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole

C24H31FN2 — CID 153375220

IUPAC2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole
SMILESCCc1cc(C2=NCCN2C(C)C)ccc1CCc1cccc(CC)c1F
InChIInChI=1S/C24H31FN2/c1-5-18-8-7-9-21(23(18)25)12-10-20-11-13-22(16-19(20)6-2)24-26-14-15-27(24)17(3)4/h7-9,11,13,16-17H,5-6,10,12,14-15H2,1-4H3
InChIKeyLVBQUZKZJSIKDB-UHFFFAOYSA-N
MW366.52 g/mol
LogP5.21
Rot. Bonds7

About 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole

2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole (PubChem CID 153375220) has the molecular formula C24H31FN2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole
PubChem CID153375220
Molecular FormulaC24H31FN2
Molecular Weight366.52 g/mol
Exact Mass366.25
IUPAC Name2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole
SMILESCCc1cc(C2=NCCN2C(C)C)ccc1CCc1cccc(CC)c1F
InChIInChI=1S/C24H31FN2/c1-5-18-8-7-9-21(23(18)25)12-10-20-11-13-22(16-19(20)6-2)24-26-14-15-27(24)17(3)4/h7-9,11,13,16-17H,5-6,10,12,14-15H2,1-4H3
InChIKeyLVBQUZKZJSIKDB-UHFFFAOYSA-N
XLogP5.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015659
SDZ-62-434 free
CID 9801987
1-Benzyl-2-(4-tert-butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole
CID 9949568
5-(4-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10065779
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
CID 10154767
5-p-Tolyl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015480
Diallyl-[4-(2,3-dihydro-imidazo[2,1-a]isoquinolin-5-yl)-benzyl]-amine
CID 10021121
5-Biphenyl-4-yl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10314059
5-(4-Ethyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10423490
5-(3-tert-Butyl-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 11779704
1-Benzyl-2-phenyl-4,5-dihydroimidazole
CID 11207103
2-Imidazoline, 1-(2-(diethylamino)ethyl)-2-methyl-5-p-tolyl-
CID 60533

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole?
The IUPAC name of 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole (CID 153375220) is 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole?
The canonical SMILES for 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole is CCc1cc(C2=NCCN2C(C)C)ccc1CCc1cccc(CC)c1F.
What is the InChIKey of 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole?
The InChIKey is LVBQUZKZJSIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2/c1-5-18-8-7-9-21(23(18)25)12-10-20-11-13-22(16-19(20)6-2)24-26-14-15-27(24)17(3)4/h7-9,11,13,16-17H,5-6,10,12,14-15H2,1-4H3.
What are the key properties of 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole?
2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole has a molecular weight of 366.52 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-[2-(3-ethyl-2-fluorophenyl)ethyl]phenyl]-1-propan-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 153375220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).