1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine

C102H110F9N23O21 — CID 162034690

IUPAC1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
SMILESCCOC(=O)c1nc(CC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.CCOC(=O)c1nc([N+](=O)[O-])cn1C.CCOC(=O)c1ncc([N+](=O)[O-])[nH]1.CCOC(=O)c1ncc[nH]1.CCOC(=O)c1nccn1Cc1ccccc1.Cc1ccc(N2CCN(C(=O)c3nc(CC(=O)Cc4ccc(OC(F)(F)F)cc4)cn3C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.O=C=Nc1ccc(OC(F)(F)F)cc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H26F3N5O3.C17H17F3N2O4.C13H14N2O2.C10H15N3.C10H10N2.C8H4F3NO2.C7H9N3O4.C6H7N3O4.C6H8N2O2/c1-17-3-8-22(29-15-17)32-9-11-33(12-10-32)24(35)23-30-19(16-31(23)2)14-20(34)13-18-4-6-21(7-5-18)36-25(26,27)28;1-3-25-16(24)15-21-12(10-22(15)2)9-13(23)8-11-4-6-14(7-5-11)26-17(18,19)20;1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-2-4-10(5-3-1)8-12-7-6-11-9-12;9-8(10,11)14-7-3-1-6(2-4-7)12-5-13;1-3-14-7(11)6-8-5(10(12)13)4-9(6)2;1-2-13-6(10)5-7-3-4(8-5)9(11)12;1-2-10-6(9)5-7-3-4-8-5/h3-8,15-16H,9-14H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;3-9H,2,10H2,1H3;2-3,8,11H,4-7H2,1H3;1-7,9H,8H2;1-4H;4H,3H2,1-2H3;3H,2H2,1H3,(H,7,8);3-4H,2H2,1H3,(H,7,8)
InChIKeyYWMLTYWBVIMRNT-UHFFFAOYSA-N
MW2165.12 g/mol
LogP15.17
Rot. Bonds31

About 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine

1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine (PubChem CID 162034690) has the molecular formula C102H110F9N23O21 and a molecular weight of 2165.12 g/mol. Its IUPAC name is 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
PubChem CID162034690
Molecular FormulaC102H110F9N23O21
Molecular Weight2165.12 g/mol
Exact Mass2163.81
IUPAC Name1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
SMILESCCOC(=O)c1nc(CC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.CCOC(=O)c1nc([N+](=O)[O-])cn1C.CCOC(=O)c1ncc([N+](=O)[O-])[nH]1.CCOC(=O)c1ncc[nH]1.CCOC(=O)c1nccn1Cc1ccccc1.Cc1ccc(N2CCN(C(=O)c3nc(CC(=O)Cc4ccc(OC(F)(F)F)cc4)cn3C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.O=C=Nc1ccc(OC(F)(F)F)cc1.c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H26F3N5O3.C17H17F3N2O4.C13H14N2O2.C10H15N3.C10H10N2.C8H4F3NO2.C7H9N3O4.C6H7N3O4.C6H8N2O2/c1-17-3-8-22(29-15-17)32-9-11-33(12-10-32)24(35)23-30-19(16-31(23)2)14-20(34)13-18-4-6-21(7-5-18)36-25(26,27)28;1-3-25-16(24)15-21-12(10-22(15)2)9-13(23)8-11-4-6-14(7-5-11)26-17(18,19)20;1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-2-4-10(5-3-1)8-12-7-6-11-9-12;9-8(10,11)14-7-3-1-6(2-4-7)12-5-13;1-3-14-7(11)6-8-5(10(12)13)4-9(6)2;1-2-13-6(10)5-7-3-4(8-5)9(11)12;1-2-10-6(9)5-7-3-4-8-5/h3-8,15-16H,9-14H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;3-9H,2,10H2,1H3;2-3,8,11H,4-7H2,1H3;1-7,9H,8H2;1-4H;4H,3H2,1-2H3;3H,2H2,1H3,(H,7,8);3-4H,2H2,1H3,(H,7,8)
InChIKeyYWMLTYWBVIMRNT-UHFFFAOYSA-N
XLogP15.17
TPSA520.10 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002165.12
LogP ≤ 515.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine
CID 123468108
1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-(5-methyl-2-pyridinyl)piperazine
CID 157927541
Ethyl 1-methyl-4-nitropyrrole-2-carboxylate;ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pyrrole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-5-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]pyrrol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-(5-methyl-2-pyridinyl)piperazine
CID 159185943
1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine;[4-(trifluoromethoxy)phenyl] cyanate
CID 161614245
N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]propanamide;8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazine-6-carboximidamide;2-[8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetaldehyde;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl 2-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]acetate;methyl 2-[4-(1H-imidazol-5-ylmethyl)-8-methyl-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
CID 158342040
Tert-butyl 4-[[[4-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate;4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(5-methylpyrazin-2-yl)ethyl]pyrido[2,3-b]pyrazin-3-one;4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(oxan-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one;4-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(piperidin-4-ylmethylamino)pyrido[2,3-b]pyrazin-3-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(4-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 159455367
N-[8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylpropanamide;4-(1H-imidazol-5-ylmethyl)-5-methoxy-2,3-dihydro-1,4-benzoxazine;methyl 2-[7-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetate;methyl 2-[8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetate;methyl N-[8-fluoro-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-N-methylcarbamate;8-methyl-6-nitro-4-(3H-pyrrol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazine;4-(3H-pyrrol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 160013839
butan-1-ol;butyl acetate;3-butyl-1H-indole;4-butylmorpholine;1-butylpiperidine;N,N-dimethylpropan-1-amine;3-ethyl-1H-indole;3-ethylpyridine;2-methyl-5-nitro-1-propylimidazole;2-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl acetate;2-[methyl(propyl)amino]ethanol;2-[methyl(propyl)amino]ethyl acetate;1-methyl-4-propylpiperazine;1-nitro-4-propoxybenzene;propan-1-ol;N-propylacetamide;propyl acetate;2-(propylamino)ethanol;3-propyl-1H-indole;4-propylmorpholine;1-propylpiperidine;1-propylpyrrolidine
CID 161275109

Frequently Asked Questions

What is the IUPAC name of 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine (CID 162034690) is 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine is CCOC(=O)c1nc(CC(=O)Cc2ccc(OC(F)(F)F)cc2)cn1C.CCOC(=O)c1nc([N+](=O)[O-])cn1C.CCOC(=O)c1ncc([N+](=O)[O-])[nH]1.CCOC(=O)c1ncc[nH]1.CCOC(=O)c1nccn1Cc1ccccc1.Cc1ccc(N2CCN(C(=O)c3nc(CC(=O)Cc4ccc(OC(F)(F)F)cc4)cn3C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.O=C=Nc1ccc(OC(F)(F)F)cc1.c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is YWMLTYWBVIMRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3.C17H17F3N2O4.C13H14N2O2.C10H15N3.C10H10N2.C8H4F3NO2.C7H9N3O4.C6H7N3O4.C6H8N2O2/c1-17-3-8-22(29-15-17)32-9-11-33(12-10-32)24(35)23-30-19(16-31(23)2)14-20(34)13-18-4-6-21(7-5-18)36-25(26,27)28;1-3-25-16(24)15-21-12(10-22(15)2)9-13(23)8-11-4-6-14(7-5-11)26-17(18,19)20;1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-2-4-10(5-3-1)8-12-7-6-11-9-12;9-8(10,11)14-7-3-1-6(2-4-7)12-5-13;1-3-14-7(11)6-8-5(10(12)13)4-9(6)2;1-2-13-6(10)5-7-3-4(8-5)9(11)12;1-2-10-6(9)5-7-3-4-8-5/h3-8,15-16H,9-14H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;3-9H,2,10H2,1H3;2-3,8,11H,4-7H2,1H3;1-7,9H,8H2;1-4H;4H,3H2,1-2H3;3H,2H2,1H3,(H,7,8);3-4H,2H2,1H3,(H,7,8).
What are the key properties of 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine?
1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 2165.12 g/mol, XLogP of 15.17, 31 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylimidazole;ethyl 1-benzylimidazole-2-carboxylate;ethyl 1H-imidazole-2-carboxylate;ethyl 1-methyl-4-nitroimidazole-2-carboxylate;ethyl 1-methyl-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]imidazole-2-carboxylate;ethyl 5-nitro-1H-imidazole-2-carboxylate;1-isocyanato-4-(trifluoromethoxy)benzene;1-[1-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]imidazol-4-yl]-3-[4-(trifluoromethoxy)phenyl]propan-2-one;1-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 162034690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).