[3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate

C58H88F2N6O6 — CID 87729094

IUPAC[3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate
SMILESCCCC1(OC(=O)OC)N=CN(C2CCCCC2)C1CC1CCC(C(c2ccc(F)cc2)N(C)C)CC1.COC(=O)OC1(C)N=CN(C2CCCCC2)C1CC1CCC(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C30H46FN3O3.C28H42FN3O3/c1-5-19-30(37-29(35)36-4)27(34(21-32-30)26-9-7-6-8-10-26)20-22-11-13-23(14-12-22)28(33(2)3)24-15-17-25(31)18-16-24;1-28(35-27(33)34-4)25(32(19-30-28)24-11-6-5-7-12-24)17-20-13-15-21(16-14-20)26(31(2)3)22-9-8-10-23(29)18-22/h15-18,21-23,26-28H,5-14,19-20H2,1-4H3;8-10,18-21,24-26H,5-7,11-17H2,1-4H3
InChIKeyDMXNFQODWRSPNC-UHFFFAOYSA-N
MW1003.37 g/mol
LogP13.12
Rot. Bonds16

About [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate

[3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate (PubChem CID 87729094) has the molecular formula C58H88F2N6O6 and a molecular weight of 1003.37 g/mol. Its IUPAC name is [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate.

Molecular Properties

Compound Name[3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate
PubChem CID87729094
Molecular FormulaC58H88F2N6O6
Molecular Weight1003.37 g/mol
Exact Mass1002.67
IUPAC Name[3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate
SMILESCCCC1(OC(=O)OC)N=CN(C2CCCCC2)C1CC1CCC(C(c2ccc(F)cc2)N(C)C)CC1.COC(=O)OC1(C)N=CN(C2CCCCC2)C1CC1CCC(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C30H46FN3O3.C28H42FN3O3/c1-5-19-30(37-29(35)36-4)27(34(21-32-30)26-9-7-6-8-10-26)20-22-11-13-23(14-12-22)28(33(2)3)24-15-17-25(31)18-16-24;1-28(35-27(33)34-4)25(32(19-30-28)24-11-6-5-7-12-24)17-20-13-15-21(16-14-20)26(31(2)3)22-9-8-10-23(29)18-22/h15-18,21-23,26-28H,5-14,19-20H2,1-4H3;8-10,18-21,24-26H,5-7,11-17H2,1-4H3
InChIKeyDMXNFQODWRSPNC-UHFFFAOYSA-N
XLogP13.12
TPSA108.74 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.37
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate with MolForge

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Related Compounds

[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-(methylsulfanylmethyl)-4H-imidazol-5-yl] methyl carbonate
CID 69024666
[4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-(2-methylsulfanylethyl)-3-(2-phenylethyl)-4H-imidazol-5-yl] methyl carbonate
CID 69020767
[5-(benzylsulfanylmethyl)-3-butyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-4H-imidazol-5-yl] methyl carbonate
CID 69020030
methyl 4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-3-(1-phenylethyl)-5-propyl-4H-imidazole-5-carboxylate
CID 172833828
[3-benzyl-5-(benzylsulfanylmethyl)-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-4H-imidazol-5-yl] methyl carbonate
CID 69023330
5-butyl-4-[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-3-cyclohexyl-4H-imidazole-5-carboxylic acid;[4-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-3-cyclohexyl-5-(2-methylpropyl)-4H-imidazol-5-yl] methyl carbonate;methyl hydrogen carbonate
CID 87729146
methyl 3-[4-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-5-methoxycarbonyloxy-3-propyl-4H-imidazol-5-yl]propanoate
CID 69021216
methyl 4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-3-(2-phenylethyl)-4H-imidazole-5-carboxylate
CID 68705294
[5-butyl-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-propyl-4H-imidazol-5-yl] methyl carbonate;[5-[(4-chlorophenyl)methyl]-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-propyl-4H-imidazol-5-yl] methyl carbonate
CID 87744510
[5-(benzylsulfanylmethyl)-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-(2-phenylethyl)-4H-imidazol-5-yl] methyl carbonate
CID 69021887
methyl 5-(benzylsulfanylmethyl)-3-butyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-4H-imidazole-5-carboxylate
CID 23629774
3-benzyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-(2-methylsulfanylethyl)-4H-imidazole-5-carboxylic acid
CID 151826432

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate?
The IUPAC name of [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate (CID 87729094) is [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate.
What is the SMILES notation for [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate?
The canonical SMILES for [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate is CCCC1(OC(=O)OC)N=CN(C2CCCCC2)C1CC1CCC(C(c2ccc(F)cc2)N(C)C)CC1.COC(=O)OC1(C)N=CN(C2CCCCC2)C1CC1CCC(C(c2cccc(F)c2)N(C)C)CC1.
What is the InChIKey of [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate?
The InChIKey is DMXNFQODWRSPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46FN3O3.C28H42FN3O3/c1-5-19-30(37-29(35)36-4)27(34(21-32-30)26-9-7-6-8-10-26)20-22-11-13-23(14-12-22)28(33(2)3)24-15-17-25(31)18-16-24;1-28(35-27(33)34-4)25(32(19-30-28)24-11-6-5-7-12-24)17-20-13-15-21(16-14-20)26(31(2)3)22-9-8-10-23(29)18-22/h15-18,21-23,26-28H,5-14,19-20H2,1-4H3;8-10,18-21,24-26H,5-7,11-17H2,1-4H3.
What are the key properties of [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate?
[3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate has a molecular weight of 1003.37 g/mol, XLogP of 13.12, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-5-methyl-4H-imidazol-5-yl] methyl carbonate;[3-cyclohexyl-4-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-5-propyl-4H-imidazol-5-yl] methyl carbonate is sourced from PubChem (CID 87729094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).