(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole

C21H15Cl2FN2 — CID 89264793

IUPAC(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C21H15Cl2FN2/c22-16-8-4-13(5-9-16)19-20(14-6-10-17(23)11-7-14)26-21(25-19)15-2-1-3-18(24)12-15/h1-12,19-20H,(H,25,26)/t19-,20+
InChIKeyLOSZETUJMHMDBD-BGYRXZFFSA-N
MW385.27 g/mol
LogP5.96
Rot. Bonds3

About (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole

(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 89264793) has the molecular formula C21H15Cl2FN2 and a molecular weight of 385.27 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID89264793
Molecular FormulaC21H15Cl2FN2
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C21H15Cl2FN2/c22-16-8-4-13(5-9-16)19-20(14-6-10-17(23)11-7-14)26-21(25-19)15-2-1-3-18(24)12-15/h1-12,19-20H,(H,25,26)/t19-,20+
InChIKeyLOSZETUJMHMDBD-BGYRXZFFSA-N
XLogP5.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10309456
sodium 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]benzoate
CID 23694730
4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 10216595
(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 131848223
(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-fluoro-6-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 59093176
(4R,5S)-2-[3,5-bis(methoxymethyl)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 59093212
(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-methylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 59093149
sodium 2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]phenoxy]acetic acid
CID 162307369
2,6-dibromo-4-[4-(4-fluorophenyl)-5-pyridin-4-yl-4,5-dihydro-1H-imidazol-2-yl]phenol
CID 135770651
3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid
CID 22721050
4,5-bis(4-chlorophenyl)-2-[3-ethyl-5-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole;formic acid
CID 142254350
(4R,5R)-2-[3-tert-butyl-5-[(4R,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11967745

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole (CID 89264793) is (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole is Fc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c1.
What is the InChIKey of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LOSZETUJMHMDBD-BGYRXZFFSA-N. The full InChI is InChI=1S/C21H15Cl2FN2/c22-16-8-4-13(5-9-16)19-20(14-6-10-17(23)11-7-14)26-21(25-19)15-2-1-3-18(24)12-15/h1-12,19-20H,(H,25,26)/t19-,20+.
What are the key properties of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 385.27 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-fluorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 89264793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).