2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H18F2N2 — CID 68568526

IUPAC2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1ccc(CC2=NC(c3ccccc3)C(c3ccccc3)N2)c(F)c1
InChIInChI=1S/C22H18F2N2/c23-18-12-11-17(19(24)14-18)13-20-25-21(15-7-3-1-4-8-15)22(26-20)16-9-5-2-6-10-16/h1-12,14,21-22H,13H2,(H,25,26)
InChIKeyTVFAXXIIZLCKJA-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.99
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 68568526) has the molecular formula C22H18F2N2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID68568526
Molecular FormulaC22H18F2N2
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1ccc(CC2=NC(c3ccccc3)C(c3ccccc3)N2)c(F)c1
InChIInChI=1S/C22H18F2N2/c23-18-12-11-17(19(24)14-18)13-20-25-21(15-7-3-1-4-8-15)22(26-20)16-9-5-2-6-10-16/h1-12,14,21-22H,13H2,(H,25,26)
InChIKeyTVFAXXIIZLCKJA-UHFFFAOYSA-N
XLogP4.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-2-[(5-fluoro-2-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68569844
(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567391
2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567393
(4R,5S)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11371356
2-benzyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68573876
(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68568247
(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11190792
(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 91220935
(4S)-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 70887739
(4S,5R)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68566035
(4R,5S)-2-[(2,5-dimethoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68569350
(4R,5S)-2-[(4-fluorophenoxy)methyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 59655530

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 68568526) is 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1ccc(CC2=NC(c3ccccc3)C(c3ccccc3)N2)c(F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is TVFAXXIIZLCKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2/c23-18-12-11-17(19(24)14-18)13-20-25-21(15-7-3-1-4-8-15)22(26-20)16-9-5-2-6-10-16/h1-12,14,21-22H,13H2,(H,25,26).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 348.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68568526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).