(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole

C25H24Cl2N2O2 — CID 5288630

IUPAC(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t23-,24+
InChIKeyYRGSRFXZNYCJNK-PSWAGMNNSA-N
MW455.39 g/mol
LogP6.62
Rot. Bonds6

About (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole

(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 5288630) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID5288630
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t23-,24+
InChIKeyYRGSRFXZNYCJNK-PSWAGMNNSA-N
XLogP6.62
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole (CID 5288630) is (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c(OC(C)C)c1.
What is the InChIKey of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is YRGSRFXZNYCJNK-PSWAGMNNSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-15(2)31-22-14-20(30-3)12-13-21(22)25-28-23(16-4-8-18(26)9-5-16)24(29-25)17-6-10-19(27)11-7-17/h4-15,23-24H,1-3H3,(H,28,29)/t23-,24+.
What are the key properties of (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 455.39 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 5288630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).