1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole

C139H206N14 — CID 157270507

IUPAC1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole
SMILESC1=CN(C23CC4CC(CC(C4)C2)C3)CN1C12CC3CC(CC(C3)C1)C2.CC(C)(C)N1C=CN(C(C)(C)C)C1.CC(C)N1C=CN(C(C)C)C1.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1.CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C27H40N2.C27H38N2.C23H34N2.C21H28N2.C21H26N2.C11H22N2.C9H18N2/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-8(2)10-5-6-11(7-10)9(3)4/h9-14,18-21H,15-17H2,1-8H3;9-16,18-21H,17H2,1-8H3;1-2,16-21H,3-15H2;9-12H,7-8,13H2,1-6H3;7-12H,13H2,1-6H3;7-8H,9H2,1-6H3;5-6,8-9H,7H2,1-4H3
InChIKeyHKXQKJLNTOJXSW-UHFFFAOYSA-N
MW2073.27 g/mol
LogP34.96
Rot. Bonds20

About 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole

1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole (PubChem CID 157270507) has the molecular formula C139H206N14 and a molecular weight of 2073.27 g/mol. Its IUPAC name is 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole
PubChem CID157270507
Molecular FormulaC139H206N14
Molecular Weight2073.27 g/mol
Exact Mass2071.65
IUPAC Name1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole
SMILESC1=CN(C23CC4CC(CC(C4)C2)C3)CN1C12CC3CC(CC(C3)C1)C2.CC(C)(C)N1C=CN(C(C)(C)C)C1.CC(C)N1C=CN(C(C)C)C1.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1.CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C27H40N2.C27H38N2.C23H34N2.C21H28N2.C21H26N2.C11H22N2.C9H18N2/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-8(2)10-5-6-11(7-10)9(3)4/h9-14,18-21H,15-17H2,1-8H3;9-16,18-21H,17H2,1-8H3;1-2,16-21H,3-15H2;9-12H,7-8,13H2,1-6H3;7-12H,13H2,1-6H3;7-8H,9H2,1-6H3;5-6,8-9H,7H2,1-4H3
InChIKeyHKXQKJLNTOJXSW-UHFFFAOYSA-N
XLogP34.96
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.27
LogP ≤ 534.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole with MolForge

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-ditert-butylimidazolidine;4,5-dichloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;dichloro(propyl)-λ3-iodane;2-iodo-2-methylpropane;1-iodopropane;2-iodo-1,3,5-trimethylbenzene;methane
CID 160730745
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
4,5-dichloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;4,5-dichloro-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 159633968
1-(1-adamantyl)-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
CID 138373985
4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole
CID 71072176
1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride
CID 24810515
CID 177432688
CID 177432688
(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol
CID 134943461
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
CID 164783146
2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
CID 175777360
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]acetamide
CID 171378161

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole (CID 157270507) is 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole is C1=CN(C23CC4CC(CC(C4)C2)C3)CN1C12CC3CC(CC(C3)C1)C2.CC(C)(C)N1C=CN(C(C)(C)C)C1.CC(C)N1C=CN(C(C)C)C1.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1.CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2)c(C)c1.
What is the InChIKey of 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is HKXQKJLNTOJXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2.C27H38N2.C23H34N2.C21H28N2.C21H26N2.C11H22N2.C9H18N2/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-8(2)10-5-6-11(7-10)9(3)4/h9-14,18-21H,15-17H2,1-8H3;9-16,18-21H,17H2,1-8H3;1-2,16-21H,3-15H2;9-12H,7-8,13H2,1-6H3;7-12H,13H2,1-6H3;7-8H,9H2,1-6H3;5-6,8-9H,7H2,1-4H3.
What are the key properties of 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole?
1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 2073.27 g/mol, XLogP of 34.96, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-adamantyl)-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1,3-ditert-butyl-2H-imidazole;1,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 157270507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).