3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one

C121H110Cl2N10O7 — CID 158321924

IUPAC3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)c1.COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1C.Cc1ccc(CCC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)cc1.Cc1cccc(C)c1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21
InChIInChI=1S/C25H24N2O2.2C24H21ClN2O.C24H22N2O2.C24H22N2O/c1-17-8-9-18(2)23(14-17)27-16-26-21-15-20(10-12-22(21)27)24(28)13-11-19-6-4-5-7-25(19)29-3;1-16-6-5-7-17(2)24(16)27-15-26-21-14-19(10-12-22(21)27)23(28)13-11-18-8-3-4-9-20(18)25;1-16-7-10-20(13-17(16)2)27-15-26-22-14-19(8-11-23(22)27)24(28)12-9-18-5-3-4-6-21(18)25;1-17-5-3-7-20(13-17)26-16-25-22-15-19(10-11-23(22)26)24(27)12-9-18-6-4-8-21(14-18)28-2;1-17-6-8-19(9-7-17)10-13-24(27)20-11-12-23-22(15-20)25-16-26(23)21-5-3-4-18(2)14-21/h4-10,12,14-16H,11,13H2,1-3H3;3-10,12,14-15H,11,13H2,1-2H3;3-8,10-11,13-15H,9,12H2,1-2H3;3-8,10-11,13-16H,9,12H2,1-2H3;3-9,11-12,14-16H,10,13H2,1-2H3
InChIKeyGOYMCHCMINHBKT-UHFFFAOYSA-N
MW1887.18 g/mol
LogP28.30
Rot. Bonds27

About 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one

3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one (PubChem CID 158321924) has the molecular formula C121H110Cl2N10O7 and a molecular weight of 1887.18 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
PubChem CID158321924
Molecular FormulaC121H110Cl2N10O7
Molecular Weight1887.18 g/mol
Exact Mass1884.79
IUPAC Name3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)c1.COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1C.Cc1ccc(CCC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)cc1.Cc1cccc(C)c1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21
InChIInChI=1S/C25H24N2O2.2C24H21ClN2O.C24H22N2O2.C24H22N2O/c1-17-8-9-18(2)23(14-17)27-16-26-21-15-20(10-12-22(21)27)24(28)13-11-19-6-4-5-7-25(19)29-3;1-16-6-5-7-17(2)24(16)27-15-26-21-14-19(10-12-22(21)27)23(28)13-11-18-8-3-4-9-20(18)25;1-16-7-10-20(13-17(16)2)27-15-26-22-14-19(8-11-23(22)27)24(28)12-9-18-5-3-4-6-21(18)25;1-17-5-3-7-20(13-17)26-16-25-22-15-19(10-11-23(22)26)24(27)12-9-18-6-4-8-21(14-18)28-2;1-17-6-8-19(9-7-17)10-13-24(27)20-11-12-23-22(15-20)25-16-26(23)21-5-3-4-18(2)14-21/h4-10,12,14-16H,11,13H2,1-3H3;3-10,12,14-15H,11,13H2,1-2H3;3-8,10-11,13-15H,9,12H2,1-2H3;3-8,10-11,13-16H,9,12H2,1-2H3;3-9,11-12,14-16H,10,13H2,1-2H3
InChIKeyGOYMCHCMINHBKT-UHFFFAOYSA-N
XLogP28.30
TPSA192.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.18
LogP ≤ 528.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one with MolForge

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Related Compounds

48-Ethyl-13,53-dimethoxy-10,17,48-triaza-3,24-diazoniaundecacyclo[40.2.2.212,15.226,29.13,10.117,24.131,35.134,37.136,40.04,9.018,23]pentapentaconta-1(44),3(55),4,6,8,12(54),13,15(53),18,20,22,24(52),26,28,31(49),32,34,36,38,40(47),42,45,50-tricosaene-30,41-dione dibromide
CID 44578299
48-Ethyl-13,53-dimethoxy-10,17,48-triaza-3,24-diazoniaundecacyclo[40.2.2.212,15.226,29.13,10.117,24.131,35.134,37.136,40.04,9.018,23]pentapentaconta-1(44),3(55),4,6,8,12(54),13,15(53),18,20,22,24(52),26,28,31(49),32,34,36,38,40(47),42,45,50-tricosaene-30,41-dione
CID 44578300
1-[4-[10-[3-[2-Ethyl-1-[4-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]benzimidazol-4-yl]naphtho[2,1-b][1]benzofuran-9-yl]anthracen-9-yl]phenyl]-2-methyl-4-[9-[10-[4-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran-4-yl]benzimidazole
CID 139519935
9-[3-(6-Tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[3-(4-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[3-(7-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 157140251
N,N-diphenyl-4-(6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaen-9-yl)aniline;9-naphthalen-2-yl-6-phenyl-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene;6-phenyl-9-(9-phenylcarbazol-3-yl)-20-oxa-4,6-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 157390097
7-[4,5-Bis(2-ethylbenzimidazol-1-yl)anthracen-9-yl]-2-ethyl-1-phenylbenzimidazole;1-[4,5-bis(1-ethyl-2-phenylbenzimidazol-4-yl)anthracen-9-yl]-9-phenylcarbazole;1-[10-dibenzofuran-4-yl-8-(2-ethylbenzimidazol-1-yl)anthracen-1-yl]-2-ethylbenzimidazole;1-ethyl-4-[8-(1-ethyl-2-phenylbenzimidazol-4-yl)-10-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 157480715
1-[3-[8-(3-Dibenzofuran-1-ylnaphthalen-2-yl)-10-phenylanthracen-1-yl]naphthalen-2-yl]dibenzofuran;1-ethyl-4-[3-[8-[4-(1-ethyl-2-phenylbenzimidazol-4-yl)naphthalen-2-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[3-[10-phenyl-8-[4-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-1-yl]benzimidazole;9-phenyl-4-[3-[10-phenyl-8-[3-(9-phenylcarbazol-4-yl)naphthalen-2-yl]anthracen-1-yl]naphthalen-2-yl]carbazole
CID 157481278
1-[2-Butyl-1-(3-methylphenyl)benzimidazol-5-yl]-3-(2-chlorophenyl)propan-1-one;3-(2-chlorophenyl)-1-[1-(4-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(3-methoxyphenyl)propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylpropan-1-one
CID 157496217
5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-2-methoxy-3-phenyl-2H-benzimidazole;5-dibenzofuran-4-yl-1-(3,5-dimethylphenyl)-3-phenylbenzimidazol-3-ium;chloride
CID 157593241
1-Methyl-5-naphtho[1,2-b][1]benzofuran-5-yl-2-phenylbenzimidazole;1-methyl-5-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-2-phenylbenzimidazole;1-methyl-5-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-2-phenylbenzimidazole;5-naphtho[1,2-b][1]benzofuran-5-yl-1,2-diphenylbenzimidazole;1-naphtho[1,2-b][1]benzofuran-5-yl-2-phenylbenzimidazole;5-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-1,2-diphenylbenzimidazole;5-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-1,2-diphenylbenzimidazole;1-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-2-propylbenzimidazole
CID 157648422
9-(4-Dibenzofuran-4-ylphenyl)-1,2,3,3-tetramethylcyclopenta[b]carbazole;1,2-dimethyl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]furo[3,2-b]carbazole;9-(3,5-diphenylphenyl)-1,2,3,3-tetramethylcyclopenta[b]carbazole;1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole
CID 157670800
5,11-Bis(1-methylbenzimidazol-2-yl)-2,8-diphenylindolo[3,2-b]carbazole;5-dibenzofuran-2-yl-2,8,11-triphenylindolo[3,2-b]carbazole;5,11-di(dibenzofuran-2-yl)-2,8-diphenylindolo[3,2-b]carbazole;7,17-dimethyl-6,16-bis(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;5-(1-methylbenzimidazol-2-yl)-2,8,11-triphenylindolo[3,2-b]carbazole
CID 157681792

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one (CID 158321924) is 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one is COc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)c1.COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1C.Cc1ccc(CCC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)cc1.Cc1cccc(C)c1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21.
What is the InChIKey of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The InChIKey is GOYMCHCMINHBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2.2C24H21ClN2O.C24H22N2O2.C24H22N2O/c1-17-8-9-18(2)23(14-17)27-16-26-21-15-20(10-12-22(21)27)24(28)13-11-19-6-4-5-7-25(19)29-3;1-16-6-5-7-17(2)24(16)27-15-26-21-14-19(10-12-22(21)27)23(28)13-11-18-8-3-4-9-20(18)25;1-16-7-10-20(13-17(16)2)27-15-26-22-14-19(8-11-23(22)27)24(28)12-9-18-5-3-4-6-21(18)25;1-17-5-3-7-20(13-17)26-16-25-22-15-19(10-11-23(22)26)24(27)12-9-18-6-4-8-21(14-18)28-2;1-17-6-8-19(9-7-17)10-13-24(27)20-11-12-23-22(15-20)25-16-26(23)21-5-3-4-18(2)14-21/h4-10,12,14-16H,11,13H2,1-3H3;3-10,12,14-15H,11,13H2,1-2H3;3-8,10-11,13-15H,9,12H2,1-2H3;3-8,10-11,13-16H,9,12H2,1-2H3;3-9,11-12,14-16H,10,13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one has a molecular weight of 1887.18 g/mol, XLogP of 28.30, 27 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,4-dimethylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-3-(2-methoxyphenyl)propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(4-methylphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 158321924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).