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

C23H19ClF2N2 — CID 59655474

IUPAC(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc([C@H]2NC(CCc3ccccc3Cl)=N[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C23H19ClF2N2/c24-20-10-2-1-5-15(20)11-12-21-27-22(16-6-3-8-18(25)13-16)23(28-21)17-7-4-9-19(26)14-17/h1-10,13-14,22-23H,11-12H2,(H,27,28)/t22-,23+
InChIKeyIRPSBBLETGPXBQ-ZRZAMGCNSA-N
MW396.87 g/mol
LogP6.04
Rot. Bonds5

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

(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 59655474) has the molecular formula C23H19ClF2N2 and a molecular weight of 396.87 g/mol. Its IUPAC name is (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID59655474
Molecular FormulaC23H19ClF2N2
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESFc1cccc([C@H]2NC(CCc3ccccc3Cl)=N[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C23H19ClF2N2/c24-20-10-2-1-5-15(20)11-12-21-27-22(16-6-3-8-18(25)13-16)23(28-21)17-7-4-9-19(26)14-17/h1-10,13-14,22-23H,11-12H2,(H,27,28)/t22-,23+
InChIKeyIRPSBBLETGPXBQ-ZRZAMGCNSA-N
XLogP6.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole (CID 59655474) is (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole is Fc1cccc([C@H]2NC(CCc3ccccc3Cl)=N[C@H]2c2cccc(F)c2)c1.
What is the InChIKey of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is IRPSBBLETGPXBQ-ZRZAMGCNSA-N. The full InChI is InChI=1S/C23H19ClF2N2/c24-20-10-2-1-5-15(20)11-12-21-27-22(16-6-3-8-18(25)13-16)23(28-21)17-7-4-9-19(26)14-17/h1-10,13-14,22-23H,11-12H2,(H,27,28)/t22-,23+.
What are the key properties of (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 396.87 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[2-(2-chlorophenyl)ethyl]-4,5-bis(3-fluorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).