N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone

C120H139F18N29O7S — CID 159744833

IUPACN-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone
SMILESC.C.C.C.CC(C)(C)NC(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.CS(=O)(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(NC1CCCCC1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(Nc1ccccc1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(c1ccccn1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(c1cccnc1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C21H26F3N5O.C21H20F3N5O.2C20H18F3N5O.C19H24F3N5O.C15H17F3N4O2S.4CH4/c2*22-21(23,24)16-6-4-5-15(13-16)18-14-25-19(27-18)28-9-11-29(12-10-28)20(30)26-17-7-2-1-3-8-17;21-20(22,23)16-5-1-3-14(11-16)17-13-25-19(26-17)28-9-7-27(8-10-28)18(29)15-4-2-6-24-12-15;21-20(22,23)15-5-3-4-14(12-15)17-13-25-19(26-17)28-10-8-27(9-11-28)18(29)16-6-1-2-7-24-16;1-18(2,3)25-17(28)27-9-7-26(8-10-27)16-23-12-15(24-16)13-5-4-6-14(11-13)19(20,21)22;1-25(23,24)22-7-5-21(6-8-22)14-19-10-13(20-14)11-3-2-4-12(9-11)15(16,17)18;;;;/h4-6,13-14,17H,1-3,7-12H2,(H,25,27)(H,26,30);1-8,13-14H,9-12H2,(H,25,27)(H,26,30);1-6,11-13H,7-10H2,(H,25,26);1-7,12-13H,8-11H2,(H,25,26);4-6,11-12H,7-10H2,1-3H3,(H,23,24)(H,25,28);2-4,9-10H,5-8H2,1H3,(H,19,20);4*1H4
InChIKeyNCXJGNPHBMEONY-UHFFFAOYSA-N
MW2473.66 g/mol
LogP24.06
Rot. Bonds17

About N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone

N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone (PubChem CID 159744833) has the molecular formula C120H139F18N29O7S and a molecular weight of 2473.66 g/mol. Its IUPAC name is N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound NameN-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone
PubChem CID159744833
Molecular FormulaC120H139F18N29O7S
Molecular Weight2473.66 g/mol
Exact Mass2472.08
IUPAC NameN-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone
SMILESC.C.C.C.CC(C)(C)NC(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.CS(=O)(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(NC1CCCCC1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(Nc1ccccc1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(c1ccccn1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(c1cccnc1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C21H26F3N5O.C21H20F3N5O.2C20H18F3N5O.C19H24F3N5O.C15H17F3N4O2S.4CH4/c2*22-21(23,24)16-6-4-5-15(13-16)18-14-25-19(27-18)28-9-11-29(12-10-28)20(30)26-17-7-2-1-3-8-17;21-20(22,23)16-5-1-3-14(11-16)17-13-25-19(26-17)28-9-7-27(8-10-28)18(29)15-4-2-6-24-12-15;21-20(22,23)15-5-3-4-14(12-15)17-13-25-19(26-17)28-10-8-27(9-11-28)18(29)16-6-1-2-7-24-16;1-18(2,3)25-17(28)27-9-7-26(8-10-27)16-23-12-15(24-16)13-5-4-6-14(11-13)19(20,21)22;1-25(23,24)22-7-5-21(6-8-22)14-19-10-13(20-14)11-3-2-4-12(9-11)15(16,17)18;;;;/h4-6,13-14,17H,1-3,7-12H2,(H,25,27)(H,26,30);1-8,13-14H,9-12H2,(H,25,27)(H,26,30);1-6,11-13H,7-10H2,(H,25,26);1-7,12-13H,8-11H2,(H,25,26);4-6,11-12H,7-10H2,1-3H3,(H,23,24)(H,25,28);2-4,9-10H,5-8H2,1H3,(H,19,20);4*1H4
InChIKeyNCXJGNPHBMEONY-UHFFFAOYSA-N
XLogP24.06
TPSA392.32 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002473.66
LogP ≤ 524.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone (CID 159744833) is N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone is C.C.C.C.CC(C)(C)NC(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.CS(=O)(=O)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(NC1CCCCC1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(Nc1ccccc1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(c1ccccn1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.O=C(c1cccnc1)N1CCN(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is NCXJGNPHBMEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O.C21H20F3N5O.2C20H18F3N5O.C19H24F3N5O.C15H17F3N4O2S.4CH4/c2*22-21(23,24)16-6-4-5-15(13-16)18-14-25-19(27-18)28-9-11-29(12-10-28)20(30)26-17-7-2-1-3-8-17;21-20(22,23)16-5-1-3-14(11-16)17-13-25-19(26-17)28-9-7-27(8-10-28)18(29)15-4-2-6-24-12-15;21-20(22,23)15-5-3-4-14(12-15)17-13-25-19(26-17)28-10-8-27(9-11-28)18(29)16-6-1-2-7-24-16;1-18(2,3)25-17(28)27-9-7-26(8-10-27)16-23-12-15(24-16)13-5-4-6-14(11-13)19(20,21)22;1-25(23,24)22-7-5-21(6-8-22)14-19-10-13(20-14)11-3-2-4-12(9-11)15(16,17)18;;;;/h4-6,13-14,17H,1-3,7-12H2,(H,25,27)(H,26,30);1-8,13-14H,9-12H2,(H,25,27)(H,26,30);1-6,11-13H,7-10H2,(H,25,26);1-7,12-13H,8-11H2,(H,25,26);4-6,11-12H,7-10H2,1-3H3,(H,23,24)(H,25,28);2-4,9-10H,5-8H2,1H3,(H,19,20);4*1H4.
What are the key properties of N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone?
N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 2473.66 g/mol, XLogP of 24.06, 17 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;N-cyclohexyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;methane;1-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine;N-phenyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazine-1-carboxamide;pyridin-2-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone;pyridin-3-yl-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 159744833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).