2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate

C172H200Br4N24O15 — CID 160847314

IUPAC2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate
SMILESCN(Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br)C(=O)OC(C)(C)C.CN1Cc2cc(-c3cnc(C4CCCC4)[nH]3)ccc2-c2ccc(C3=CN=C([C@@H]4CCCN4)C3)cc2C1=O.CNCc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc(C2=CN=C([C@@H]3CCCN3)C2)cc1C(=O)OC.COC(=O)c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.COC(=O)c1cc(C2=CN=C([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)ccc1-c1ccc(-c2cnc(C3CCCC3)[nH]2)cc1CN(C)C(=O)OC(C)(C)C.O=Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.OCc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br
InChIInChI=1S/C42H53N5O6.C32H37N5O2.C31H33N5O.C21H28BrN3O2.C16H17BrN2O2.C15H17BrN2O.C15H15BrN2O/c1-41(2,3)52-39(49)46(7)25-30-20-28(35-24-44-37(45-35)26-12-9-10-13-26)16-17-31(30)32-18-15-27(21-33(32)38(48)51-8)29-22-34(43-23-29)36-14-11-19-47(36)40(50)53-42(4,5)6;1-33-17-24-14-22(30-19-36-31(37-30)20-6-3-4-7-20)10-11-25(24)26-12-9-21(15-27(26)32(38)39-2)23-16-29(35-18-23)28-8-5-13-34-28;1-36-18-23-13-21(29-17-34-30(35-29)19-5-2-3-6-19)9-10-24(23)25-11-8-20(14-26(25)31(36)37)22-15-28(33-16-22)27-7-4-12-32-27;1-21(2,3)27-20(26)25(4)13-16-11-15(9-10-17(16)22)18-12-23-19(24-18)14-7-5-6-8-14;1-21-16(20)12-8-11(6-7-13(12)17)14-9-18-15(19-14)10-4-2-3-5-10;2*16-13-6-5-11(7-12(13)9-19)14-8-17-15(18-14)10-3-1-2-4-10/h15-18,20-21,23-24,26,36H,9-14,19,22,25H2,1-8H3,(H,44,45);9-12,14-15,18-20,28,33-34H,3-8,13,16-17H2,1-2H3,(H,36,37);8-11,13-14,16-17,19,27,32H,2-7,12,15,18H2,1H3,(H,34,35);9-12,14H,5-8,13H2,1-4H3,(H,23,24);6-10H,2-5H2,1H3,(H,18,19);5-8,10,19H,1-4,9H2,(H,17,18);5-10H,1-4H2,(H,17,18)/t36-;28-;27-;;;;/m000..../s1
InChIKeySIUQOANFDXGTBQ-FLEKJKHSSA-N
MW3163.26 g/mol
LogP39.35
Rot. Bonds33

About 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate

2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate (PubChem CID 160847314) has the molecular formula C172H200Br4N24O15 and a molecular weight of 3163.26 g/mol. Its IUPAC name is 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate.

Molecular Properties

Compound Name2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate
PubChem CID160847314
Molecular FormulaC172H200Br4N24O15
Molecular Weight3163.26 g/mol
Exact Mass3157.24
IUPAC Name2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate
SMILESCN(Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br)C(=O)OC(C)(C)C.CN1Cc2cc(-c3cnc(C4CCCC4)[nH]3)ccc2-c2ccc(C3=CN=C([C@@H]4CCCN4)C3)cc2C1=O.CNCc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc(C2=CN=C([C@@H]3CCCN3)C2)cc1C(=O)OC.COC(=O)c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.COC(=O)c1cc(C2=CN=C([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)ccc1-c1ccc(-c2cnc(C3CCCC3)[nH]2)cc1CN(C)C(=O)OC(C)(C)C.O=Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.OCc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br
InChIInChI=1S/C42H53N5O6.C32H37N5O2.C31H33N5O.C21H28BrN3O2.C16H17BrN2O2.C15H17BrN2O.C15H15BrN2O/c1-41(2,3)52-39(49)46(7)25-30-20-28(35-24-44-37(45-35)26-12-9-10-13-26)16-17-31(30)32-18-15-27(21-33(32)38(48)51-8)29-22-34(43-23-29)36-14-11-19-47(36)40(50)53-42(4,5)6;1-33-17-24-14-22(30-19-36-31(37-30)20-6-3-4-7-20)10-11-25(24)26-12-9-21(15-27(26)32(38)39-2)23-16-29(35-18-23)28-8-5-13-34-28;1-36-18-23-13-21(29-17-34-30(35-29)19-5-2-3-6-19)9-10-24(23)25-11-8-20(14-26(25)31(36)37)22-15-28(33-16-22)27-7-4-12-32-27;1-21(2,3)27-20(26)25(4)13-16-11-15(9-10-17(16)22)18-12-23-19(24-18)14-7-5-6-8-14;1-21-16(20)12-8-11(6-7-13(12)17)14-9-18-15(19-14)10-4-2-3-5-10;2*16-13-6-5-11(7-12(13)9-19)14-8-17-15(18-14)10-3-1-2-4-10/h15-18,20-21,23-24,26,36H,9-14,19,22,25H2,1-8H3,(H,44,45);9-12,14-15,18-20,28,33-34H,3-8,13,16-17H2,1-2H3,(H,36,37);8-11,13-14,16-17,19,27,32H,2-7,12,15,18H2,1H3,(H,34,35);9-12,14H,5-8,13H2,1-4H3,(H,23,24);6-10H,2-5H2,1H3,(H,18,19);5-8,10,19H,1-4,9H2,(H,17,18);5-10H,1-4H2,(H,17,18)/t36-;28-;27-;;;;/m000..../s1
InChIKeySIUQOANFDXGTBQ-FLEKJKHSSA-N
XLogP39.35
TPSA499.06 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003163.26
LogP ≤ 539.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate?
The IUPAC name of 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate (CID 160847314) is 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate.
What is the SMILES notation for 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate?
The canonical SMILES for 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate is CN(Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br)C(=O)OC(C)(C)C.CN1Cc2cc(-c3cnc(C4CCCC4)[nH]3)ccc2-c2ccc(C3=CN=C([C@@H]4CCCN4)C3)cc2C1=O.CNCc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc(C2=CN=C([C@@H]3CCCN3)C2)cc1C(=O)OC.COC(=O)c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.COC(=O)c1cc(C2=CN=C([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)ccc1-c1ccc(-c2cnc(C3CCCC3)[nH]2)cc1CN(C)C(=O)OC(C)(C)C.O=Cc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.OCc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1Br.
What is the InChIKey of 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate?
The InChIKey is SIUQOANFDXGTBQ-FLEKJKHSSA-N. The full InChI is InChI=1S/C42H53N5O6.C32H37N5O2.C31H33N5O.C21H28BrN3O2.C16H17BrN2O2.C15H17BrN2O.C15H15BrN2O/c1-41(2,3)52-39(49)46(7)25-30-20-28(35-24-44-37(45-35)26-12-9-10-13-26)16-17-31(30)32-18-15-27(21-33(32)38(48)51-8)29-22-34(43-23-29)36-14-11-19-47(36)40(50)53-42(4,5)6;1-33-17-24-14-22(30-19-36-31(37-30)20-6-3-4-7-20)10-11-25(24)26-12-9-21(15-27(26)32(38)39-2)23-16-29(35-18-23)28-8-5-13-34-28;1-36-18-23-13-21(29-17-34-30(35-29)19-5-2-3-6-19)9-10-24(23)25-11-8-20(14-26(25)31(36)37)22-15-28(33-16-22)27-7-4-12-32-27;1-21(2,3)27-20(26)25(4)13-16-11-15(9-10-17(16)22)18-12-23-19(24-18)14-7-5-6-8-14;1-21-16(20)12-8-11(6-7-13(12)17)14-9-18-15(19-14)10-4-2-3-5-10;2*16-13-6-5-11(7-12(13)9-19)14-8-17-15(18-14)10-3-1-2-4-10/h15-18,20-21,23-24,26,36H,9-14,19,22,25H2,1-8H3,(H,44,45);9-12,14-15,18-20,28,33-34H,3-8,13,16-17H2,1-2H3,(H,36,37);8-11,13-14,16-17,19,27,32H,2-7,12,15,18H2,1H3,(H,34,35);9-12,14H,5-8,13H2,1-4H3,(H,23,24);6-10H,2-5H2,1H3,(H,18,19);5-8,10,19H,1-4,9H2,(H,17,18);5-10H,1-4H2,(H,17,18)/t36-;28-;27-;;;;/m000..../s1.
What are the key properties of 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate?
2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate has a molecular weight of 3163.26 g/mol, XLogP of 39.35, 33 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzaldehyde;[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methanol;tert-butyl N-[[2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]methyl]-N-methylcarbamate;tert-butyl (2S)-2-[4-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-3-methoxycarbonylphenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;9-(2-cyclopentyl-1H-imidazol-5-yl)-6-methyl-3-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]-7H-benzo[d][2]benzazepin-5-one;methyl 2-bromo-5-(2-cyclopentyl-1H-imidazol-5-yl)benzoate;methyl 2-[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-(methylaminomethyl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]benzoate is sourced from PubChem (CID 160847314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).