N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine

C180H252Cl3F3N42O3 — CID 159618076

IUPACN-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1c(C)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(C)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(C)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(Cl)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(Cl)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(Cl)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(F)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(F)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(F)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(OC)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(OC)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(OC)nc(C)c2[nH]cnc12)C(C)(C)C
InChIInChI=1S/2C16H23N3O.2C16H23N3.C15H20ClN3.C15H20FN3.C15H22N4O.C15H22N4.2C14H19ClN4.2C14H19FN4/c2*1-10-7-13(20-6)12(15-14(10)18-9-19-15)8-17-11(2)16(3,4)5;2*1-10-7-11(2)14-15(19-9-18-14)13(10)8-17-12(3)16(4,5)6;2*1-9-6-12(16)11(14-13(9)18-8-19-14)7-17-10(2)15(3,4)5;1-9-12-13(18-8-17-12)11(14(19-9)20-6)7-16-10(2)15(3,4)5;1-9-12(7-16-11(3)15(4,5)6)14-13(10(2)19-9)17-8-18-14;4*1-8-11-12(18-7-17-11)10(13(15)19-8)6-16-9(2)14(3,4)5/h2*7,9,17H,2,8H2,1,3-6H3,(H,18,19);2*7,9,17H,3,8H2,1-2,4-6H3,(H,18,19);2*6,8,17H,2,7H2,1,3-5H3,(H,18,19);8,16H,2,7H2,1,3-6H3,(H,17,18);8,16H,3,7H2,1-2,4-6H3,(H,17,18);4*7,16H,2,6H2,1,3-5H3,(H,17,18)
InChIKeyMNNQQBDWQRGGPD-UHFFFAOYSA-N
MW3215.64 g/mol
LogP41.95
Rot. Bonds39

About N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine

N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine (PubChem CID 159618076) has the molecular formula C180H252Cl3F3N42O3 and a molecular weight of 3215.64 g/mol. Its IUPAC name is N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine
PubChem CID159618076
Molecular FormulaC180H252Cl3F3N42O3
Molecular Weight3215.64 g/mol
Exact Mass3211.99
IUPAC NameN-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCc1c(C)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(C)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(C)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(Cl)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(Cl)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(Cl)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(F)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(F)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(F)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(OC)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(OC)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(OC)nc(C)c2[nH]cnc12)C(C)(C)C
InChIInChI=1S/2C16H23N3O.2C16H23N3.C15H20ClN3.C15H20FN3.C15H22N4O.C15H22N4.2C14H19ClN4.2C14H19FN4/c2*1-10-7-13(20-6)12(15-14(10)18-9-19-15)8-17-11(2)16(3,4)5;2*1-10-7-11(2)14-15(19-9-18-14)13(10)8-17-12(3)16(4,5)6;2*1-9-6-12(16)11(14-13(9)18-8-19-14)7-17-10(2)15(3,4)5;1-9-12-13(18-8-17-12)11(14(19-9)20-6)7-16-10(2)15(3,4)5;1-9-12(7-16-11(3)15(4,5)6)14-13(10(2)19-9)17-8-18-14;4*1-8-11-12(18-7-17-11)10(13(15)19-8)6-16-9(2)14(3,4)5/h2*7,9,17H,2,8H2,1,3-6H3,(H,18,19);2*7,9,17H,3,8H2,1-2,4-6H3,(H,18,19);2*6,8,17H,2,7H2,1,3-5H3,(H,18,19);8,16H,2,7H2,1,3-6H3,(H,17,18);8,16H,3,7H2,1-2,4-6H3,(H,17,18);4*7,16H,2,6H2,1,3-5H3,(H,17,18)
InChIKeyMNNQQBDWQRGGPD-UHFFFAOYSA-N
XLogP41.95
TPSA593.55 Ų
H-Bond Donors24
H-Bond Acceptors33
Rotatable Bonds39
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003215.64
LogP ≤ 541.95
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine;bis(N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine);N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methyl-1H-benzimidazol-2-amine
CID 158345766
6-chloro-N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6,7-dihydro-1H-furo[2,3-f]benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-6-methoxy-1H-benzimidazol-2-amine;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-methyl-1H-benzimidazol-2-amine
CID 159151468
1-[3-(2-Chloro-4-fluorophenyl)-2-methyl-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole
CID 157727894
N'-[[4-[[(6-chloro-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[(5,6-dimethyl-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[(6-ethoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[(4-methyl-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 157729332
CID 158566199
CID 158566199
(S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;[4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]phenyl]methanamine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-4-piperazin-1-yl-2-piperidin-1-ylbenzimidazole;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-yl-4-(2-pyrrolidin-1-ylethoxy)benzimidazole
CID 158619891
1-[2-Chloro-3-(4-fluoro-2-methylphenyl)-4-pyridinyl]-5,7-difluorobenzimidazole;1-[2-(2-chloro-4-methylphenyl)-3-methylphenyl]-5,7-difluorobenzimidazole;5,7-difluoro-1-[3-(4-fluoro-2-methylphenyl)-4-methyl-2-pyridinyl]benzimidazole;5,7-difluoro-1-[5-(4-fluoro-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[5-(4-methoxy-2-methylphenyl)-6-methylpyrimidin-4-yl]benzimidazole;5,7-difluoro-1-[6-methyl-5-(2-methylphenyl)pyrimidin-4-yl]benzimidazole
CID 159072785
2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline
CID 159074524
CID 159517056
CID 159517056
4-chloro-2-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)-1H-benzimidazole;2-(2,2-dimethylpropyl)-1,5-dimethylbenzimidazole;3-(2,2-dimethylpropyl)-2-fluoro-5-methylpyridine;2-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridine;5-(2,2-dimethylpropyl)-2-imidazol-1-ylpyridine;bis(6-(2,2-dimethylpropyl)-1H-indene);1-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzene;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-6-methylpyridine;3-(2,2-dimethylpropyl)-5-methylpyridine;methane
CID 159896892
(S)-[6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]-cyclopropylmethanamine;1-[6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperidin-1-ylbenzimidazol-4-yl]pyrrol-3-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-yl-4-(2-pyrrolidin-1-ylethoxy)benzimidazole;1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-ylbenzimidazol-4-yl]piperidin-4-amine;1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperidin-1-yl-4-(2-propan-2-yloxyphenyl)benzimidazole
CID 160093426
N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;3,3-dimethyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]but-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]ethyl]-3,3-dimethylbut-1-en-2-amine
CID 160100015

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine (CID 159618076) is N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine is C=C(NCc1c(C)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(C)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(C)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(Cl)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(Cl)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(Cl)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(F)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(F)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(F)nc(C)c2[nH]cnc12)C(C)(C)C.C=C(NCc1c(OC)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(OC)cc(C)c2nc[nH]c12)C(C)(C)C.C=C(NCc1c(OC)nc(C)c2[nH]cnc12)C(C)(C)C.
What is the InChIKey of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
The InChIKey is MNNQQBDWQRGGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H23N3O.2C16H23N3.C15H20ClN3.C15H20FN3.C15H22N4O.C15H22N4.2C14H19ClN4.2C14H19FN4/c2*1-10-7-13(20-6)12(15-14(10)18-9-19-15)8-17-11(2)16(3,4)5;2*1-10-7-11(2)14-15(19-9-18-14)13(10)8-17-12(3)16(4,5)6;2*1-9-6-12(16)11(14-13(9)18-8-19-14)7-17-10(2)15(3,4)5;1-9-12-13(18-8-17-12)11(14(19-9)20-6)7-16-10(2)15(3,4)5;1-9-12(7-16-11(3)15(4,5)6)14-13(10(2)19-9)17-8-18-14;4*1-8-11-12(18-7-17-11)10(13(15)19-8)6-16-9(2)14(3,4)5/h2*7,9,17H,2,8H2,1,3-6H3,(H,18,19);2*7,9,17H,3,8H2,1-2,4-6H3,(H,18,19);2*6,8,17H,2,7H2,1,3-5H3,(H,18,19);8,16H,2,7H2,1,3-6H3,(H,17,18);8,16H,3,7H2,1-2,4-6H3,(H,17,18);4*7,16H,2,6H2,1,3-5H3,(H,17,18).
What are the key properties of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine?
N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine has a molecular weight of 3215.64 g/mol, XLogP of 41.95, 39 rotatable bonds, 24 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-chloro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5,7-dimethyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine;N-[(5-fluoro-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine;bis(N-[(6-fluoro-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine);bis(N-[(5-methoxy-7-methyl-3H-benzimidazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine);N-[(6-methoxy-4-methyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 159618076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).