4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one

C31H35ClN4O5 — CID 114286447

IUPAC4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
SMILESCOc1cccc([C@@H]2NC(c3ccc(OC)cc3OC(C)C)N(C(=O)N3CCNC(=O)C3)[C@@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C31H35ClN4O5/c1-19(2)41-26-17-24(40-4)12-13-25(26)30-34-28(21-6-5-7-23(16-21)39-3)29(20-8-10-22(32)11-9-20)36(30)31(38)35-15-14-33-27(37)18-35/h5-13,16-17,19,28-30,34H,14-15,18H2,1-4H3,(H,33,37)/t28-,29+,30?/m0/s1
InChIKeyXPFXHCSFCPCIOW-UOCPRXARSA-N
MW579.10 g/mol
LogP5.08
Rot. Bonds7

About 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one

4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one (PubChem CID 114286447) has the molecular formula C31H35ClN4O5 and a molecular weight of 579.10 g/mol. Its IUPAC name is 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
PubChem CID114286447
Molecular FormulaC31H35ClN4O5
Molecular Weight579.10 g/mol
Exact Mass578.23
IUPAC Name4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
SMILESCOc1cccc([C@@H]2NC(c3ccc(OC)cc3OC(C)C)N(C(=O)N3CCNC(=O)C3)[C@@H]2c2ccc(Cl)cc2)c1
InChIInChI=1S/C31H35ClN4O5/c1-19(2)41-26-17-24(40-4)12-13-25(26)30-34-28(21-6-5-7-23(16-21)39-3)29(20-8-10-22(32)11-9-20)36(30)31(38)35-15-14-33-27(37)18-35/h5-13,16-17,19,28-30,34H,14-15,18H2,1-4H3,(H,33,37)/t28-,29+,30?/m0/s1
InChIKeyXPFXHCSFCPCIOW-UOCPRXARSA-N
XLogP5.08
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.10
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one (CID 114286447) is 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one is COc1cccc([C@@H]2NC(c3ccc(OC)cc3OC(C)C)N(C(=O)N3CCNC(=O)C3)[C@@H]2c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
The InChIKey is XPFXHCSFCPCIOW-UOCPRXARSA-N. The full InChI is InChI=1S/C31H35ClN4O5/c1-19(2)41-26-17-24(40-4)12-13-25(26)30-34-28(21-6-5-7-23(16-21)39-3)29(20-8-10-22(32)11-9-20)36(30)31(38)35-15-14-33-27(37)18-35/h5-13,16-17,19,28-30,34H,14-15,18H2,1-4H3,(H,33,37)/t28-,29+,30?/m0/s1.
What are the key properties of 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one has a molecular weight of 579.10 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 114286447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).