4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C24H27ClN4O4 — CID 142572979

IUPAC4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCOc1ccc(C2=NC[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
InChIInChI=1S/C24H27ClN4O4/c1-15(2)33-21-12-18(32-3)8-9-19(21)23-27-13-20(16-4-6-17(25)7-5-16)29(23)24(31)28-11-10-26-22(30)14-28/h4-9,12,15,20H,10-11,13-14H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyGTIBMKGIWRCXPH-FQEVSTJZSA-N
MW470.96 g/mol
LogP3.49
Rot. Bonds5

About 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 142572979) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID142572979
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCOc1ccc(C2=NC[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
InChIInChI=1S/C24H27ClN4O4/c1-15(2)33-21-12-18(32-3)8-9-19(21)23-27-13-20(16-4-6-17(25)7-5-16)29(23)24(31)28-11-10-26-22(30)14-28/h4-9,12,15,20H,10-11,13-14H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyGTIBMKGIWRCXPH-FQEVSTJZSA-N
XLogP3.49
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 142572979) is 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is COc1ccc(C2=NC[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1.
What is the InChIKey of 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is GTIBMKGIWRCXPH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-15(2)33-21-12-18(32-3)8-9-19(21)23-27-13-20(16-4-6-17(25)7-5-16)29(23)24(31)28-11-10-26-22(30)14-28/h4-9,12,15,20H,10-11,13-14H2,1-3H3,(H,26,30)/t20-/m0/s1.
What are the key properties of 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 470.96 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 142572979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).