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

C25H24Cl2N2O2 — CID 59093226

IUPAC(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCOc1cc(OC)ccc1C1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C25H24Cl2N2O2/c1-3-14-31-22-15-20(30-2)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/h4-13,15,23-24H,3,14H2,1-2H3,(H,28,29)/t23-,24+
InChIKeyKLHRJLQCIDRUIW-PSWAGMNNSA-N
MW455.39 g/mol
LogP6.62
Rot. Bonds7

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

(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 59093226) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID59093226
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCOc1cc(OC)ccc1C1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C25H24Cl2N2O2/c1-3-14-31-22-15-20(30-2)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/h4-13,15,23-24H,3,14H2,1-2H3,(H,28,29)/t23-,24+
InChIKeyKLHRJLQCIDRUIW-PSWAGMNNSA-N
XLogP6.62
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-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

Related Compounds

(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 59093201
(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 59093148
4-(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-4,5-dihydro-1H-imidazole
CID 11315312
4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 10151200
(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole
CID 58735089
(4S,5R)-2-(5-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 70331151
4-[4-(4-cyanophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]benzonitrile
CID 10173536
4,5-bis(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 10216595
[3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-methoxyphenyl]methanol
CID 10238097
4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59792646
(4S,5R)-4-(4-chlorophenyl)-5-(cyclopentylmethyl)-2-(2,4-diethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 58735084
(4S,5R)-2,4,5-tris(2,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 155561723

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole (CID 59093226) is (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole is CCCOc1cc(OC)ccc1C1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is KLHRJLQCIDRUIW-PSWAGMNNSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-3-14-31-22-15-20(30-2)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/h4-13,15,23-24H,3,14H2,1-2H3,(H,28,29)/t23-,24+.
What are the key properties of (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 455.39 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59093226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).