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

C22H27ClN2O2 — CID 58735089

IUPAC(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole
SMILESCCC[C@H]1NC(c2ccc(OC)cc2OC(C)C)=N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O2/c1-5-6-19-21(15-7-9-16(23)10-8-15)25-22(24-19)18-12-11-17(26-4)13-20(18)27-14(2)3/h7-14,19,21H,5-6H2,1-4H3,(H,24,25)/t19-,21+/m1/s1
InChIKeyQLQDJGAWOVCIKS-CTNGQTDRSA-N
MW386.92 g/mol
LogP5.40
Rot. Bonds7

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

(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole (PubChem CID 58735089) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole
PubChem CID58735089
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole
SMILESCCC[C@H]1NC(c2ccc(OC)cc2OC(C)C)=N[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O2/c1-5-6-19-21(15-7-9-16(23)10-8-15)25-22(24-19)18-12-11-17(26-4)13-20(18)27-14(2)3/h7-14,19,21H,5-6H2,1-4H3,(H,24,25)/t19-,21+/m1/s1
InChIKeyQLQDJGAWOVCIKS-CTNGQTDRSA-N
XLogP5.40
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole (CID 58735089) is (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole is CCC[C@H]1NC(c2ccc(OC)cc2OC(C)C)=N[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole?
The InChIKey is QLQDJGAWOVCIKS-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-5-6-19-21(15-7-9-16(23)10-8-15)25-22(24-19)18-12-11-17(26-4)13-20(18)27-14(2)3/h7-14,19,21H,5-6H2,1-4H3,(H,24,25)/t19-,21+/m1/s1.
What are the key properties of (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole?
(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole has a molecular weight of 386.92 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-propyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).