(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H18ClFN2 — CID 11190792

IUPAC(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1Cl
InChIInChI=1S/C22H18ClFN2/c23-18-13-15(11-12-19(18)24)14-20-25-21(16-7-3-1-4-8-16)22(26-20)17-9-5-2-6-10-17/h1-13,21-22H,14H2,(H,25,26)/t21-,22+
InChIKeyGHTHHNYBXQNLRX-SZPZYZBQSA-N
MW364.85 g/mol
LogP5.51
Rot. Bonds4

About (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 11190792) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID11190792
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC Name(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1Cl
InChIInChI=1S/C22H18ClFN2/c23-18-13-15(11-12-19(18)24)14-20-25-21(16-7-3-1-4-8-16)22(26-20)17-9-5-2-6-10-17/h1-13,21-22H,14H2,(H,25,26)/t21-,22+
InChIKeyGHTHHNYBXQNLRX-SZPZYZBQSA-N
XLogP5.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68568526
(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,5R)-2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567484
(4S)-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 70887739
(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68568247
(4S,5R)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68566035
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 11294313
(4S,5R)-2-[(2-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;hydrochloride
CID 68567332

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 11190792) is (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1ccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1Cl.
What is the InChIKey of (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is GHTHHNYBXQNLRX-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H18ClFN2/c23-18-13-15(11-12-19(18)24)14-20-25-21(16-7-3-1-4-8-16)22(26-20)17-9-5-2-6-10-17/h1-13,21-22H,14H2,(H,25,26)/t21-,22+.
What are the key properties of (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 364.85 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-[(3-chloro-4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11190792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).