2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole

C174H156N60O4 — CID 158638489

IUPAC2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole
SMILESCc1cc2c(cc1C)N(n1ccnc1C)C(=C1N(n3ccnc3C)c3cc(C)c(C)cc3N1n1ccnc1C)N2n1ccnc1C.Cc1nnc(C)n1N1/C(=C2/N(n3c(C)nnc3C)c3ccc(C(C)(C)C)cc3N2n2c(C)nnc2C)N(n2c(C)nnc2C)c2cc(C(C)(C)C)ccc21.c1ccc(-c2nccn2N2C(=C3N(n4ccnc4-c4ccccc4)c4ccccc4N3n3ccnc3-c3ccccc3)N(n3ccnc3-c3ccccc3)c3ccccc32)cc1.c1ccc2c(c1)N(c1ncco1)C(=C1N(c3ncco3)c3ccccc3N1c1ncco1)N2c1ncco1.c1ccc2c(c1)N(n1ccnc1)C(=C1N(n3ccnc3)c3ccccc3N1n1ccnc1)N2n1ccnc1
InChIInChI=1S/C50H36N12.C38H48N16.C34H36N12.C26H20N12.C26H16N8O4/c1-5-17-37(18-6-1)45-51-29-33-55(45)59-41-25-13-14-26-42(41)60(56-34-30-52-46(56)38-19-7-2-8-20-38)49(59)50-61(57-35-31-53-47(57)39-21-9-3-10-22-39)43-27-15-16-28-44(43)62(50)58-36-32-54-48(58)40-23-11-4-12-24-40;1-21-39-40-22(2)47(21)51-31-17-15-29(37(9,10)11)19-33(31)53(49-25(5)43-44-26(49)6)35(51)36-52(48-23(3)41-42-24(48)4)32-18-16-30(38(12,13)14)20-34(32)54(36)50-27(7)45-46-28(50)8;1-21-17-29-30(18-22(21)2)44(40-14-10-36-26(40)6)33(43(29)39-13-9-35-25(39)5)34-45(41-15-11-37-27(41)7)31-19-23(3)24(4)20-32(31)46(34)42-16-12-38-28(42)8;1-2-6-22-21(5-1)35(31-13-9-27-17-31)25(36(22)32-14-10-28-18-32)26-37(33-15-11-29-19-33)23-7-3-4-8-24(23)38(26)34-16-12-30-20-34;1-2-6-18-17(5-1)31(23-27-9-13-35-23)21(32(18)24-28-10-14-36-24)22-33(25-29-11-15-37-25)19-7-3-4-8-20(19)34(22)26-30-12-16-38-26/h1-36H;15-20H,1-14H3;9-20H,1-8H3;1-20H;1-16H/b;36-35+;;;
InChIKeyIABLTASUTYKDQD-GGBXEUCVSA-N
MW3151.58 g/mol
LogP31.44
Rot. Bonds24

About 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole

2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole (PubChem CID 158638489) has the molecular formula C174H156N60O4 and a molecular weight of 3151.58 g/mol. Its IUPAC name is 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole.

Molecular Properties

Compound Name2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole
PubChem CID158638489
Molecular FormulaC174H156N60O4
Molecular Weight3151.58 g/mol
Exact Mass3149.38
IUPAC Name2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole
SMILESCc1cc2c(cc1C)N(n1ccnc1C)C(=C1N(n3ccnc3C)c3cc(C)c(C)cc3N1n1ccnc1C)N2n1ccnc1C.Cc1nnc(C)n1N1/C(=C2/N(n3c(C)nnc3C)c3ccc(C(C)(C)C)cc3N2n2c(C)nnc2C)N(n2c(C)nnc2C)c2cc(C(C)(C)C)ccc21.c1ccc(-c2nccn2N2C(=C3N(n4ccnc4-c4ccccc4)c4ccccc4N3n3ccnc3-c3ccccc3)N(n3ccnc3-c3ccccc3)c3ccccc32)cc1.c1ccc2c(c1)N(c1ncco1)C(=C1N(c3ncco3)c3ccccc3N1c1ncco1)N2c1ncco1.c1ccc2c(c1)N(n1ccnc1)C(=C1N(n3ccnc3)c3ccccc3N1n1ccnc1)N2n1ccnc1
InChIInChI=1S/C50H36N12.C38H48N16.C34H36N12.C26H20N12.C26H16N8O4/c1-5-17-37(18-6-1)45-51-29-33-55(45)59-41-25-13-14-26-42(41)60(56-34-30-52-46(56)38-19-7-2-8-20-38)49(59)50-61(57-35-31-53-47(57)39-21-9-3-10-22-39)43-27-15-16-28-44(43)62(50)58-36-32-54-48(58)40-23-11-4-12-24-40;1-21-39-40-22(2)47(21)51-31-17-15-29(37(9,10)11)19-33(31)53(49-25(5)43-44-26(49)6)35(51)36-52(48-23(3)41-42-24(48)4)32-18-16-30(38(12,13)14)20-34(32)54(36)50-27(7)45-46-28(50)8;1-21-17-29-30(18-22(21)2)44(40-14-10-36-26(40)6)33(43(29)39-13-9-35-25(39)5)34-45(41-15-11-37-27(41)7)31-19-23(3)24(4)20-32(31)46(34)42-16-12-38-28(42)8;1-2-6-22-21(5-1)35(31-13-9-27-17-31)25(36(22)32-14-10-28-18-32)26-37(33-15-11-29-19-33)23-7-3-4-8-24(23)38(26)34-16-12-30-20-34;1-2-6-18-17(5-1)31(23-27-9-13-35-23)21(32(18)24-28-10-14-36-24)22-33(25-29-11-15-37-25)19-7-3-4-8-20(19)34(22)26-30-12-16-38-26/h1-36H;15-20H,1-14H3;9-20H,1-8H3;1-20H;1-16H/b;36-35+;;;
InChIKeyIABLTASUTYKDQD-GGBXEUCVSA-N
XLogP31.44
TPSA505.60 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds24
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003151.58
LogP ≤ 531.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Analyze 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-3-[2-(2,3-dimethylimidazol-4-yl)propan-2-yl]-2-methyl-2H-imidazol-1-yl]-3-methyl-1,3-oxazol-3-ium;2-[(2S)-3-[2-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-2-methyl-2H-imidazol-1-yl]-3-methyl-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylimidazol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylindol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylpyrrol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium
CID 158297646
5-(3-Ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(4-fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 159406513
3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylimidazol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylindol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylpyrrol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-1,3-oxazol-3-ium
CID 160029823
(2S)-1-[2-(2,3-dimethylimidazol-4-yl)propan-2-yl]-3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-2H-benzimidazole;(2S)-1-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-3-[2-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-2-methyl-2H-benzimidazole;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylindol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylpyrrol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium
CID 160201215
(2S)-1-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-3-[2-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-2-methyl-2H-benzimidazole;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylimidazol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylindol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium;3-methyl-2-[(2S)-2-methyl-3-[2-(1-methylpyrrol-2-yl)propan-2-yl]-2H-imidazol-1-yl]-1,3-oxazol-3-ium
CID 160900409

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole?
The IUPAC name of 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole (CID 158638489) is 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole.
What is the SMILES notation for 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole?
The canonical SMILES for 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole is Cc1cc2c(cc1C)N(n1ccnc1C)C(=C1N(n3ccnc3C)c3cc(C)c(C)cc3N1n1ccnc1C)N2n1ccnc1C.Cc1nnc(C)n1N1/C(=C2/N(n3c(C)nnc3C)c3ccc(C(C)(C)C)cc3N2n2c(C)nnc2C)N(n2c(C)nnc2C)c2cc(C(C)(C)C)ccc21.c1ccc(-c2nccn2N2C(=C3N(n4ccnc4-c4ccccc4)c4ccccc4N3n3ccnc3-c3ccccc3)N(n3ccnc3-c3ccccc3)c3ccccc32)cc1.c1ccc2c(c1)N(c1ncco1)C(=C1N(c3ncco3)c3ccccc3N1c1ncco1)N2c1ncco1.c1ccc2c(c1)N(n1ccnc1)C(=C1N(n3ccnc3)c3ccccc3N1n1ccnc1)N2n1ccnc1.
What is the InChIKey of 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole?
The InChIKey is IABLTASUTYKDQD-GGBXEUCVSA-N. The full InChI is InChI=1S/C50H36N12.C38H48N16.C34H36N12.C26H20N12.C26H16N8O4/c1-5-17-37(18-6-1)45-51-29-33-55(45)59-41-25-13-14-26-42(41)60(56-34-30-52-46(56)38-19-7-2-8-20-38)49(59)50-61(57-35-31-53-47(57)39-21-9-3-10-22-39)43-27-15-16-28-44(43)62(50)58-36-32-54-48(58)40-23-11-4-12-24-40;1-21-39-40-22(2)47(21)51-31-17-15-29(37(9,10)11)19-33(31)53(49-25(5)43-44-26(49)6)35(51)36-52(48-23(3)41-42-24(48)4)32-18-16-30(38(12,13)14)20-34(32)54(36)50-27(7)45-46-28(50)8;1-21-17-29-30(18-22(21)2)44(40-14-10-36-26(40)6)33(43(29)39-13-9-35-25(39)5)34-45(41-15-11-37-27(41)7)31-19-23(3)24(4)20-32(31)46(34)42-16-12-38-28(42)8;1-2-6-22-21(5-1)35(31-13-9-27-17-31)25(36(22)32-14-10-28-18-32)26-37(33-15-11-29-19-33)23-7-3-4-8-24(23)38(26)34-16-12-30-20-34;1-2-6-18-17(5-1)31(23-27-9-13-35-23)21(32(18)24-28-10-14-36-24)22-33(25-29-11-15-37-25)19-7-3-4-8-20(19)34(22)26-30-12-16-38-26/h1-36H;15-20H,1-14H3;9-20H,1-8H3;1-20H;1-16H/b;36-35+;;;.
What are the key properties of 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole?
2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole has a molecular weight of 3151.58 g/mol, XLogP of 31.44, 24 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,3-bis(1,3-oxazol-2-yl)benzimidazol-2-ylidene]-3-(1,3-oxazol-2-yl)benzimidazol-1-yl]-1,3-oxazole;2-[1,3-bis(2-phenylimidazol-1-yl)benzimidazol-2-ylidene]-1,3-bis(2-phenylimidazol-1-yl)benzimidazole;(2E)-5-tert-butyl-2-[5-tert-butyl-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazol-2-ylidene]-1,3-bis(3,5-dimethyl-1,2,4-triazol-4-yl)benzimidazole;2-[1,3-di(imidazol-1-yl)benzimidazol-2-ylidene]-1,3-di(imidazol-1-yl)benzimidazole;2-[5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazol-2-ylidene]-5,6-dimethyl-1,3-bis(2-methylimidazol-1-yl)benzimidazole is sourced from PubChem (CID 158638489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).