tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate

C37H45Cl2N5O5 — CID 169042095

IUPACtert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate
SMILESCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)c(OC(C)C)c1
InChIInChI=1S/C37H45Cl2N5O5/c1-24(2)48-31-23-29(47-6)15-16-30(31)34-41-32(25-7-11-27(38)12-8-25)33(26-9-13-28(39)14-10-26)44(34)36(46)43-21-19-42(20-22-43)18-17-40-35(45)49-37(3,4)5/h7-16,23-24,32-33H,17-22H2,1-6H3,(H,40,45)/t32-,33+/m0/s1
InChIKeyZPJMSNBILPJZIO-JHOUSYSJSA-N
MW710.70 g/mol
LogP7.60
Rot. Bonds9

About tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate (PubChem CID 169042095) has the molecular formula C37H45Cl2N5O5 and a molecular weight of 710.70 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate
PubChem CID169042095
Molecular FormulaC37H45Cl2N5O5
Molecular Weight710.70 g/mol
Exact Mass709.28
IUPAC Nametert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate
SMILESCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)c(OC(C)C)c1
InChIInChI=1S/C37H45Cl2N5O5/c1-24(2)48-31-23-29(47-6)15-16-30(31)34-41-32(25-7-11-27(38)12-8-25)33(26-9-13-28(39)14-10-26)44(34)36(46)43-21-19-42(20-22-43)18-17-40-35(45)49-37(3,4)5/h7-16,23-24,32-33H,17-22H2,1-6H3,(H,40,45)/t32-,33+/m0/s1
InChIKeyZPJMSNBILPJZIO-JHOUSYSJSA-N
XLogP7.60
TPSA95.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.70
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate 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 tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate (CID 169042095) is tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate is COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCN(CCNC(=O)OC(C)(C)C)CC2)c(OC(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate?
The InChIKey is ZPJMSNBILPJZIO-JHOUSYSJSA-N. The full InChI is InChI=1S/C37H45Cl2N5O5/c1-24(2)48-31-23-29(47-6)15-16-30(31)34-41-32(25-7-11-27(38)12-8-25)33(26-9-13-28(39)14-10-26)44(34)36(46)43-21-19-42(20-22-43)18-17-40-35(45)49-37(3,4)5/h7-16,23-24,32-33H,17-22H2,1-6H3,(H,40,45)/t32-,33+/m0/s1.
What are the key properties of tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate has a molecular weight of 710.70 g/mol, XLogP of 7.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 169042095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).