2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine

C60H66Cl2N6O4 — CID 161073436

IUPAC2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCC(C)CCOc1ccc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4ccc(OCCN(C)C)cc4)c3-c3ccc(OCCN(C)C)cc3)N=C2c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C60H66Cl2N6O4/c1-41(2)33-37-69-47-25-17-43(18-26-47)55-56(44-19-27-48(28-20-44)70-38-34-42(3)4)65-60(64-55,52-14-10-12-16-54(52)62)68-58(46-23-31-50(32-24-46)72-40-36-67(7)8)57(63-59(68)51-13-9-11-15-53(51)61)45-21-29-49(30-22-45)71-39-35-66(5)6/h9-32,41-42H,33-40H2,1-8H3
InChIKeyNACGETYFSJEYOE-UHFFFAOYSA-N
MW1006.13 g/mol
LogP13.57
Rot. Bonds23

About 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine

2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 161073436) has the molecular formula C60H66Cl2N6O4 and a molecular weight of 1006.13 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID161073436
Molecular FormulaC60H66Cl2N6O4
Molecular Weight1006.13 g/mol
Exact Mass1004.45
IUPAC Name2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCC(C)CCOc1ccc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4ccc(OCCN(C)C)cc4)c3-c3ccc(OCCN(C)C)cc3)N=C2c2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C60H66Cl2N6O4/c1-41(2)33-37-69-47-25-17-43(18-26-47)55-56(44-19-27-48(28-20-44)70-38-34-42(3)4)65-60(64-55,52-14-10-12-16-54(52)62)68-58(46-23-31-50(32-24-46)72-40-36-67(7)8)57(63-59(68)51-13-9-11-15-53(51)61)45-21-29-49(30-22-45)71-39-35-66(5)6/h9-32,41-42H,33-40H2,1-8H3
InChIKeyNACGETYFSJEYOE-UHFFFAOYSA-N
XLogP13.57
TPSA85.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.13
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine (CID 161073436) is 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine is CC(C)CCOc1ccc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4ccc(OCCN(C)C)cc4)c3-c3ccc(OCCN(C)C)cc3)N=C2c2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is NACGETYFSJEYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H66Cl2N6O4/c1-41(2)33-37-69-47-25-17-43(18-26-47)55-56(44-19-27-48(28-20-44)70-38-34-42(3)4)65-60(64-55,52-14-10-12-16-54(52)62)68-58(46-23-31-50(32-24-46)72-40-36-67(7)8)57(63-59(68)51-13-9-11-15-53(51)61)45-21-29-49(30-22-45)71-39-35-66(5)6/h9-32,41-42H,33-40H2,1-8H3.
What are the key properties of 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine?
2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 1006.13 g/mol, XLogP of 13.57, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 161073436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).