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

C166H256Cl4I4N14 — CID 160730745

IUPAC1,3-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
SMILESC.C.CC(C)(C)I.CC(C)(C)N1C=CN(C(C)(C)C)C1.CC(C)(C)N1CCN(C(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.CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(Cl)=C1Cl.CCCI.CCCI(Cl)Cl.Cc1cc(C)c(I)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/C27H36Cl2N2.C27H40N2.C27H38N2.C21H28N2.C21H26N2.C11H24N2.C11H22N2.C9H11I.C4H9I.C3H7Cl2I.C3H7I.2CH4/c1-16(2)20-11-9-12-21(17(3)4)24(20)30-15-31(27(29)26(30)28)25-22(18(5)6)13-10-14-23(25)19(7)8;2*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;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;2*1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-6-4-7(2)9(10)8(3)5-6;1-4(2,3)5;1-2-3-6(4)5;1-2-3-4;;/h9-14,16-19H,15H2,1-8H3;9-14,18-21H,15-17H2,1-8H3;9-16,18-21H,17H2,1-8H3;9-12H,7-8,13H2,1-6H3;7-12H,13H2,1-6H3;7-9H2,1-6H3;7-8H,9H2,1-6H3;4-5H,1-3H3;1-3H3;2-3H2,1H3;2-3H2,1H3;2*1H4
InChIKeySXZWVDCSXNPRAL-UHFFFAOYSA-N
MW3097.40 g/mol
LogP51.12
Rot. Bonds25

About 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

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 (PubChem CID 160730745) has the molecular formula C166H256Cl4I4N14 and a molecular weight of 3097.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID160730745
Molecular FormulaC166H256Cl4I4N14
Molecular Weight3097.40 g/mol
Exact Mass3093.54
IUPAC Name1,3-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
SMILESC.C.CC(C)(C)I.CC(C)(C)N1C=CN(C(C)(C)C)C1.CC(C)(C)N1CCN(C(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.CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(Cl)=C1Cl.CCCI.CCCI(Cl)Cl.Cc1cc(C)c(I)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/C27H36Cl2N2.C27H40N2.C27H38N2.C21H28N2.C21H26N2.C11H24N2.C11H22N2.C9H11I.C4H9I.C3H7Cl2I.C3H7I.2CH4/c1-16(2)20-11-9-12-21(17(3)4)24(20)30-15-31(27(29)26(30)28)25-22(18(5)6)13-10-14-23(25)19(7)8;2*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;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;2*1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-6-4-7(2)9(10)8(3)5-6;1-4(2,3)5;1-2-3-6(4)5;1-2-3-4;;/h9-14,16-19H,15H2,1-8H3;9-14,18-21H,15-17H2,1-8H3;9-16,18-21H,17H2,1-8H3;9-12H,7-8,13H2,1-6H3;7-12H,13H2,1-6H3;7-9H2,1-6H3;7-8H,9H2,1-6H3;4-5H,1-3H3;1-3H3;2-3H2,1H3;2-3H2,1H3;2*1H4
InChIKeySXZWVDCSXNPRAL-UHFFFAOYSA-N
XLogP51.12
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003097.40
LogP ≤ 551.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;1-iodopropane
CID 159145853
2-deuterio-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-2H-imidazole
CID 175777360
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3-bis(2,4,6-trimethylphenyl)imidazolidine;1-methyl-2-propan-2-yloxybenzene;ruthenium(2+);dichloride
CID 24810515
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]acetamide
CID 171378161
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol
CID 134943461
(4S)-4-benzyl-1-[2,6-di(propan-2-yl)phenyl]-3-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydroimidazol-3-ium
CID 122212305
1-[2,6-di(propan-2-yl)phenyl]-3-[3-methoxy-2,6-di(propan-2-yl)phenyl]imidazolidine
CID 141260478
1-(2,4-dimethyl-3-pyridinyl)-3-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazole
CID 118444759

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)(C)I.CC(C)(C)N1C=CN(C(C)(C)C)C1.CC(C)(C)N1CCN(C(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.CC(C)c1cccc(C(C)C)c1N1CN(c2c(C(C)C)cccc2C(C)C)C(Cl)=C1Cl.CCCI.CCCI(Cl)Cl.Cc1cc(C)c(I)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[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?
The InChIKey is SXZWVDCSXNPRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36Cl2N2.C27H40N2.C27H38N2.C21H28N2.C21H26N2.C11H24N2.C11H22N2.C9H11I.C4H9I.C3H7Cl2I.C3H7I.2CH4/c1-16(2)20-11-9-12-21(17(3)4)24(20)30-15-31(27(29)26(30)28)25-22(18(5)6)13-10-14-23(25)19(7)8;2*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;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;2*1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-6-4-7(2)9(10)8(3)5-6;1-4(2,3)5;1-2-3-6(4)5;1-2-3-4;;/h9-14,16-19H,15H2,1-8H3;9-14,18-21H,15-17H2,1-8H3;9-16,18-21H,17H2,1-8H3;9-12H,7-8,13H2,1-6H3;7-12H,13H2,1-6H3;7-9H2,1-6H3;7-8H,9H2,1-6H3;4-5H,1-3H3;1-3H3;2-3H2,1H3;2-3H2,1H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 3097.40 g/mol, XLogP of 51.12, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).