N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine

C115H106F2N18O4 — CID 158199388

IUPACN-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine
SMILESCC(=O)NCc1ccc(-n2cnc3ccc(-c4ccc(F)c(F)c4)cc32)cc1.COc1ccc(-c2ccc3ncn(-c4ccc(CNC(C)=O)cc4)c3c2)cn1.c1cc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)ccn1.c1cc(-c2ccc3ncn(-c4ccc(N5CCOCC5)cc4)c3c2)ccn1.c1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C25H25N3.C24H24N4.C22H17F2N3O.C22H20N4O2.C22H20N4O/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27;1-2-14-27(15-3-1)17-19-4-7-22(8-5-19)28-18-26-23-9-6-21(16-24(23)28)20-10-12-25-13-11-20;1-14(28)25-12-15-2-6-18(7-3-15)27-13-26-21-9-5-17(11-22(21)27)16-4-8-19(23)20(24)10-16;1-15(27)23-12-16-3-7-19(8-4-16)26-14-25-20-9-5-17(11-21(20)26)18-6-10-22(28-2)24-13-18;1-6-21-22(15-18(1)17-7-9-23-10-8-17)26(16-24-21)20-4-2-19(3-5-20)25-11-13-27-14-12-25/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2;4-13,16,18H,1-3,14-15,17H2;2-11,13H,12H2,1H3,(H,25,28);3-11,13-14H,12H2,1-2H3,(H,23,27);1-10,15-16H,11-14H2
InChIKeyGASYWUVMRWYHMG-UHFFFAOYSA-N
MW1842.23 g/mol
LogP23.01
Rot. Bonds20

About N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine

N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine (PubChem CID 158199388) has the molecular formula C115H106F2N18O4 and a molecular weight of 1842.23 g/mol. Its IUPAC name is N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine.

Molecular Properties

Compound NameN-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine
PubChem CID158199388
Molecular FormulaC115H106F2N18O4
Molecular Weight1842.23 g/mol
Exact Mass1840.86
IUPAC NameN-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine
SMILESCC(=O)NCc1ccc(-n2cnc3ccc(-c4ccc(F)c(F)c4)cc32)cc1.COc1ccc(-c2ccc3ncn(-c4ccc(CNC(C)=O)cc4)c3c2)cn1.c1cc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)ccn1.c1cc(-c2ccc3ncn(-c4ccc(N5CCOCC5)cc4)c3c2)ccn1.c1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C25H25N3.C24H24N4.C22H17F2N3O.C22H20N4O2.C22H20N4O/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27;1-2-14-27(15-3-1)17-19-4-7-22(8-5-19)28-18-26-23-9-6-21(16-24(23)28)20-10-12-25-13-11-20;1-14(28)25-12-15-2-6-18(7-3-15)27-13-26-21-9-5-17(11-22(21)27)16-4-8-19(23)20(24)10-16;1-15(27)23-12-16-3-7-19(8-4-16)26-14-25-20-9-5-17(11-21(20)26)18-6-10-22(28-2)24-13-18;1-6-21-22(15-18(1)17-7-9-23-10-8-17)26(16-24-21)20-4-2-19(3-5-20)25-11-13-27-14-12-25/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2;4-13,16,18H,1-3,14-15,17H2;2-11,13H,12H2,1H3,(H,25,28);3-11,13-14H,12H2,1-2H3,(H,23,27);1-10,15-16H,11-14H2
InChIKeyGASYWUVMRWYHMG-UHFFFAOYSA-N
XLogP23.01
TPSA214.15 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001842.23
LogP ≤ 523.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine with MolForge

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Related Compounds

6-[1-[3,5-difluoro-4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]-2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrol-3-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 68279017
N-[6-[[6-[3-[1,1-difluoro-2-[[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]amino]-2-oxoethoxy]phenyl]-1-pyridin-2-ylbenzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2,2-difluoro-2-phenoxyacetamide
CID 132022157
1-[5-[[5-fluoro-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-(6-methoxy-3-pyridinyl)benzimidazol-2-yl]methyl]-2-pyridinyl]imidazolidin-2-one
CID 141633229
2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
CID 143306634
6-[9-[[2-(benzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-oxopurin-7-yl]-pyridin-3-ylmethyl]-2-(5-cyanobenzimidazol-1-yl)-8-oxopurin-7-yl]-3-[8-oxo-9-(1-pyridin-3-ylethyl)-7H-purin-2-yl]benzimidazole-5-carbonitrile
CID 143306723
N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 157133523
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
6-(3,3-difluoroazetidin-1-yl)-2-(6-isocyanobenzimidazol-1-yl)-9-(3-methoxypropyl)-7H-purin-8-one;6-(3,3-difluoroazetidin-1-yl)-2-(6-isocyanobenzimidazol-1-yl)-8-methylidene-9-(pyridin-3-ylmethyl)-7H-purine;2-(6-fluorobenzimidazol-1-yl)-6-(6-methoxy-3-pyridinyl)-8-methylidene-9-(oxan-4-yl)-7H-purine;2-(6-fluorobenzimidazol-1-yl)-8-methylidene-9-(oxan-4-yl)-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-7H-purine
CID 157715117
2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(5-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 157737052
2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(4-fluoro-3-methoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[4-(3-methylbenzimidazol-5-yl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[2-phenyl-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158031608
3-cyclopropyl-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;3-ethyl-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;1-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]ethanone;2,2,2-trifluoro-1-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]ethanone
CID 158945459
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-7aH-benzimidazol-1-ium-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-7aH-benzimidazol-1-ium-1-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 158970544

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine?
The IUPAC name of N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine (CID 158199388) is N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine.
What is the SMILES notation for N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine?
The canonical SMILES for N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine is CC(=O)NCc1ccc(-n2cnc3ccc(-c4ccc(F)c(F)c4)cc32)cc1.COc1ccc(-c2ccc3ncn(-c4ccc(CNC(C)=O)cc4)c3c2)cn1.c1cc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)ccn1.c1cc(-c2ccc3ncn(-c4ccc(N5CCOCC5)cc4)c3c2)ccn1.c1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1.
What is the InChIKey of N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine?
The InChIKey is GASYWUVMRWYHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3.C24H24N4.C22H17F2N3O.C22H20N4O2.C22H20N4O/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27;1-2-14-27(15-3-1)17-19-4-7-22(8-5-19)28-18-26-23-9-6-21(16-24(23)28)20-10-12-25-13-11-20;1-14(28)25-12-15-2-6-18(7-3-15)27-13-26-21-9-5-17(11-22(21)27)16-4-8-19(23)20(24)10-16;1-15(27)23-12-16-3-7-19(8-4-16)26-14-25-20-9-5-17(11-21(20)26)18-6-10-22(28-2)24-13-18;1-6-21-22(15-18(1)17-7-9-23-10-8-17)26(16-24-21)20-4-2-19(3-5-20)25-11-13-27-14-12-25/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2;4-13,16,18H,1-3,14-15,17H2;2-11,13H,12H2,1H3,(H,25,28);3-11,13-14H,12H2,1-2H3,(H,23,27);1-10,15-16H,11-14H2.
What are the key properties of N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine?
N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine has a molecular weight of 1842.23 g/mol, XLogP of 23.01, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(3,4-difluorophenyl)benzimidazol-1-yl]phenyl]methyl]acetamide;N-[[4-[6-(6-methoxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methyl]acetamide;6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole;1-[4-(piperidin-1-ylmethyl)phenyl]-6-pyridin-4-ylbenzimidazole;4-[4-(6-pyridin-4-ylbenzimidazol-1-yl)phenyl]morpholine is sourced from PubChem (CID 158199388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).