2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

C137H155N12O11P — CID 137168890

IUPAC2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCCc1nc(-c2cc(-c3cccc(C=O)c3)c(O)c(-c3cccc(P(=O)(O)O)c3)c2)n(C)c1-c1ccc(N(C)C)cc1.CCc1nc(-c2cc(C3(C)CCCCC3)c(O)c(C3(C)CCCCC3)c2)n(C(=O)c2ccccc2)c1-c1ccc(N(C)C)cc1.CN(C)c1ccc(-c2nc(-c3cc(C4CCCCC4)c(O)c(C4CCCCC4)c3)[nH]c2CCc2ccccc2)cc1.COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(CCc3ccccc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C40H49N3O2.C37H45N3O.C33H32N3O5P.C27H29N3O3/c1-6-34-35(28-18-20-31(21-19-28)42(4)5)43(38(45)29-16-10-7-11-17-29)37(41-34)30-26-32(39(2)22-12-8-13-23-39)36(44)33(27-30)40(3)24-14-9-15-25-40;1-40(2)31-21-19-29(20-22-31)35-34(23-18-26-12-6-3-7-13-26)38-37(39-35)30-24-32(27-14-8-4-9-15-27)36(41)33(25-30)28-16-10-5-11-17-28;1-5-30-31(22-12-14-26(15-13-22)35(2)3)36(4)33(34-30)25-18-28(23-9-6-8-21(16-23)20-37)32(38)29(19-25)24-10-7-11-27(17-24)42(39,40)41;1-30(2)21-13-11-19(12-14-21)25-22(15-10-18-8-6-5-7-9-18)28-27(29-25)20-16-23(32-3)26(31)24(17-20)33-4/h7,10-11,16-21,26-27,44H,6,8-9,12-15,22-25H2,1-5H3;3,6-7,12-13,19-22,24-25,27-28,41H,4-5,8-11,14-18,23H2,1-2H3,(H,38,39);6-20,38H,5H2,1-4H3,(H2,39,40,41);5-9,11-14,16-17,31H,10,15H2,1-4H3,(H,28,29)
InChIKeyNJTSEIUWJGQNJE-UHFFFAOYSA-N
MW2176.79 g/mol
LogP30.43
Rot. Bonds31

About 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (PubChem CID 137168890) has the molecular formula C137H155N12O11P and a molecular weight of 2176.79 g/mol. Its IUPAC name is 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
PubChem CID137168890
Molecular FormulaC137H155N12O11P
Molecular Weight2176.79 g/mol
Exact Mass2175.17
IUPAC Name2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCCc1nc(-c2cc(-c3cccc(C=O)c3)c(O)c(-c3cccc(P(=O)(O)O)c3)c2)n(C)c1-c1ccc(N(C)C)cc1.CCc1nc(-c2cc(C3(C)CCCCC3)c(O)c(C3(C)CCCCC3)c2)n(C(=O)c2ccccc2)c1-c1ccc(N(C)C)cc1.CN(C)c1ccc(-c2nc(-c3cc(C4CCCCC4)c(O)c(C4CCCCC4)c3)[nH]c2CCc2ccccc2)cc1.COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(CCc3ccccc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C40H49N3O2.C37H45N3O.C33H32N3O5P.C27H29N3O3/c1-6-34-35(28-18-20-31(21-19-28)42(4)5)43(38(45)29-16-10-7-11-17-29)37(41-34)30-26-32(39(2)22-12-8-13-23-39)36(44)33(27-30)40(3)24-14-9-15-25-40;1-40(2)31-21-19-29(20-22-31)35-34(23-18-26-12-6-3-7-13-26)38-37(39-35)30-24-32(27-14-8-4-9-15-27)36(41)33(25-30)28-16-10-5-11-17-28;1-5-30-31(22-12-14-26(15-13-22)35(2)3)36(4)33(34-30)25-18-28(23-9-6-8-21(16-23)20-37)32(38)29(19-25)24-10-7-11-27(17-24)42(39,40)41;1-30(2)21-13-11-19(12-14-21)25-22(15-10-18-8-6-5-7-9-18)28-27(29-25)20-16-23(32-3)26(31)24(17-20)33-4/h7,10-11,16-21,26-27,44H,6,8-9,12-15,22-25H2,1-5H3;3,6-7,12-13,19-22,24-25,27-28,41H,4-5,8-11,14-18,23H2,1-2H3,(H,38,39);6-20,38H,5H2,1-4H3,(H2,39,40,41);5-9,11-14,16-17,31H,10,15H2,1-4H3,(H,28,29)
InChIKeyNJTSEIUWJGQNJE-UHFFFAOYSA-N
XLogP30.43
TPSA297.01 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002176.79
LogP ≤ 530.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (CID 137168890) is 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is CCc1nc(-c2cc(-c3cccc(C=O)c3)c(O)c(-c3cccc(P(=O)(O)O)c3)c2)n(C)c1-c1ccc(N(C)C)cc1.CCc1nc(-c2cc(C3(C)CCCCC3)c(O)c(C3(C)CCCCC3)c2)n(C(=O)c2ccccc2)c1-c1ccc(N(C)C)cc1.CN(C)c1ccc(-c2nc(-c3cc(C4CCCCC4)c(O)c(C4CCCCC4)c3)[nH]c2CCc2ccccc2)cc1.COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(CCc3ccccc3)[nH]2)cc(OC)c1O.
What is the InChIKey of 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The InChIKey is NJTSEIUWJGQNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N3O2.C37H45N3O.C33H32N3O5P.C27H29N3O3/c1-6-34-35(28-18-20-31(21-19-28)42(4)5)43(38(45)29-16-10-7-11-17-29)37(41-34)30-26-32(39(2)22-12-8-13-23-39)36(44)33(27-30)40(3)24-14-9-15-25-40;1-40(2)31-21-19-29(20-22-31)35-34(23-18-26-12-6-3-7-13-26)38-37(39-35)30-24-32(27-14-8-4-9-15-27)36(41)33(25-30)28-16-10-5-11-17-28;1-5-30-31(22-12-14-26(15-13-22)35(2)3)36(4)33(34-30)25-18-28(23-9-6-8-21(16-23)20-37)32(38)29(19-25)24-10-7-11-27(17-24)42(39,40)41;1-30(2)21-13-11-19(12-14-21)25-22(15-10-18-8-6-5-7-9-18)28-27(29-25)20-16-23(32-3)26(31)24(17-20)33-4/h7,10-11,16-21,26-27,44H,6,8-9,12-15,22-25H2,1-5H3;3,6-7,12-13,19-22,24-25,27-28,41H,4-5,8-11,14-18,23H2,1-2H3,(H,38,39);6-20,38H,5H2,1-4H3,(H2,39,40,41);5-9,11-14,16-17,31H,10,15H2,1-4H3,(H,28,29).
What are the key properties of 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol has a molecular weight of 2176.79 g/mol, XLogP of 30.43, 31 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 137168890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).