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

C122H112Cl2N10O6 — CID 157496217

IUPAC1-[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
SMILESCCCCc1nc2cc(C(=O)CCc3ccccc3Cl)ccc2n1-c1cccc(C)c1.COc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1.Cc1cccc(-n2cnc3cc(C(=O)CC(C)c4ccccc4)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4)ccc32)c1
InChIInChI=1S/C27H27ClN2O.C25H24N2O2.C24H22N2O.C23H19ClN2O.C23H20N2O/c1-3-4-12-27-29-24-18-21(26(31)16-14-20-9-5-6-11-23(20)28)13-15-25(24)30(27)22-10-7-8-19(2)17-22;1-17-7-8-18(2)24(13-17)27-16-26-22-15-20(10-11-23(22)27)25(28)12-9-19-5-4-6-21(14-19)29-3;1-17-7-6-10-21(13-17)26-16-25-22-15-20(11-12-23(22)26)24(27)14-18(2)19-8-4-3-5-9-19;1-16-6-10-19(11-7-16)26-15-25-21-14-18(8-12-22(21)26)23(27)13-9-17-4-2-3-5-20(17)24;1-17-6-5-9-20(14-17)25-16-24-21-15-19(11-12-22(21)25)23(26)13-10-18-7-3-2-4-8-18/h5-11,13,15,17-18H,3-4,12,14,16H2,1-2H3;4-8,10-11,13-16H,9,12H2,1-3H3;3-13,15-16,18H,14H2,1-2H3;2-8,10-12,14-15H,9,13H2,1H3;2-9,11-12,14-16H,10,13H2,1H3
InChIKeyBXWCAVAZNANEGE-UHFFFAOYSA-N
MW1885.21 g/mol
LogP29.27
Rot. Bonds29

About 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

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 (PubChem CID 157496217) has the molecular formula C122H112Cl2N10O6 and a molecular weight of 1885.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157496217
Molecular FormulaC122H112Cl2N10O6
Molecular Weight1885.21 g/mol
Exact Mass1882.81
IUPAC Name1-[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
SMILESCCCCc1nc2cc(C(=O)CCc3ccccc3Cl)ccc2n1-c1cccc(C)c1.COc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1.Cc1cccc(-n2cnc3cc(C(=O)CC(C)c4ccccc4)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4)ccc32)c1
InChIInChI=1S/C27H27ClN2O.C25H24N2O2.C24H22N2O.C23H19ClN2O.C23H20N2O/c1-3-4-12-27-29-24-18-21(26(31)16-14-20-9-5-6-11-23(20)28)13-15-25(24)30(27)22-10-7-8-19(2)17-22;1-17-7-8-18(2)24(13-17)27-16-26-22-15-20(10-11-23(22)27)25(28)12-9-19-5-4-6-21(14-19)29-3;1-17-7-6-10-21(13-17)26-16-25-22-15-20(11-12-23(22)26)24(27)14-18(2)19-8-4-3-5-9-19;1-16-6-10-19(11-7-16)26-15-25-21-14-18(8-12-22(21)26)23(27)13-9-17-4-2-3-5-20(17)24;1-17-6-5-9-20(14-17)25-16-24-21-15-19(11-12-22(21)25)23(26)13-10-18-7-3-2-4-8-18/h5-11,13,15,17-18H,3-4,12,14,16H2,1-2H3;4-8,10-11,13-16H,9,12H2,1-3H3;3-13,15-16,18H,14H2,1-2H3;2-8,10-12,14-15H,9,13H2,1H3;2-9,11-12,14-16H,10,13H2,1H3
InChIKeyBXWCAVAZNANEGE-UHFFFAOYSA-N
XLogP29.27
TPSA183.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.21
LogP ≤ 529.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
9-[3-[3-Carbazol-9-yl-2-(2-phenylimidazol-1-yl)phenyl]phenyl]-3,6-bis[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89849058
3-[8-[(3Z,5E)-6-carbazol-9-ylhepta-1,3,5-trien-2-yl]dibenzofuran-2-yl]-6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-[2-(2-phenylimidazol-1-yl)phenyl]carbazole
CID 89850950
1-[(4-Chlorophenyl)methyl]-6-[2-[3-[2-[1-[(4-chlorophenyl)methyl]-5-(furan-2-yl)benzimidazol-2-yl]ethyl]pyrrolidin-1-yl]ethyl]-5-methyl-2-(2-pyridin-4-ylethyl)benzimidazole
CID 90936966
2-(5-chloro-2-pyridinyl)-3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclopent-3-en-1-yl]indole-6-carboxamide;3-cyclopentyl-2-(6-methoxy-2-pyridinyl)-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]indole-6-carboxamide;3-cyclopentyl-1-methyl-N-[1-[1-methyl-6-[(E)-3-oxobut-1-enyl]benzimidazol-2-yl]cyclobutyl]-2-prop-1-en-2-ylindole-6-carboxamide
CID 123493039
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
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-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-(4-Tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-(5-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[4-(1,6-diphenylbenzimidazol-2-yl)phenyl]carbazole
CID 157698493
2-[2-(4-acetylphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone;N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-[4-(1-methoxyethenyl)phenyl]-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(4-fluorophenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;N-[4-[6-(2-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]phenyl]-2-phenylacetamide;2-(2-phenyl-3H-benzimidazol-5-yl)-1-(4-pyrrol-1-ylphenyl)ethanone
CID 158013517
2-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-1-[4-(dimethylamino)phenyl]ethanone;1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone;1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]ethanone;1-[4-(dimethylamino)phenyl]-2-[2-(1-methylindol-5-yl)-3H-benzimidazol-5-yl]ethanone;2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-1-(4-pyrrol-1-ylphenyl)ethanone;1-(3-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone;bis(1-(4-methoxyphenyl)-2-(2-phenyl-3H-benzimidazol-5-yl)ethanone);methyl 4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]benzoate;2-(2-phenyl-3H-benzimidazol-5-yl)-1-pyridin-4-ylethanone
CID 158155290

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCc1nc2cc(C(=O)CCc3ccccc3Cl)ccc2n1-c1cccc(C)c1.COc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1.Cc1cccc(-n2cnc3cc(C(=O)CC(C)c4ccccc4)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is BXWCAVAZNANEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O.C25H24N2O2.C24H22N2O.C23H19ClN2O.C23H20N2O/c1-3-4-12-27-29-24-18-21(26(31)16-14-20-9-5-6-11-23(20)28)13-15-25(24)30(27)22-10-7-8-19(2)17-22;1-17-7-8-18(2)24(13-17)27-16-26-22-15-20(10-11-23(22)27)25(28)12-9-19-5-4-6-21(14-19)29-3;1-17-7-6-10-21(13-17)26-16-25-22-15-20(11-12-23(22)26)24(27)14-18(2)19-8-4-3-5-9-19;1-16-6-10-19(11-7-16)26-15-25-21-14-18(8-12-22(21)26)23(27)13-9-17-4-2-3-5-20(17)24;1-17-6-5-9-20(14-17)25-16-24-21-15-19(11-12-22(21)25)23(26)13-10-18-7-3-2-4-8-18/h5-11,13,15,17-18H,3-4,12,14,16H2,1-2H3;4-8,10-11,13-16H,9,12H2,1-3H3;3-13,15-16,18H,14H2,1-2H3;2-8,10-12,14-15H,9,13H2,1H3;2-9,11-12,14-16H,10,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1885.21 g/mol, XLogP of 29.27, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157496217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).