3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one

C120H106Cl2N10O8 — CID 158587877

IUPAC3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one
SMILESCOc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1.COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1.Cc1cccc(-n2cnc3cc(C(=O)CC(C)c4ccccc4)ccc32)c1.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccc2c(c1)CCO2
InChIInChI=1S/C25H24N2O2.C24H19ClN2O2.C24H22N2O2.C24H22N2O.C23H19ClN2O/c1-17-7-8-18(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;25-20-4-2-1-3-16(20)6-9-23(28)17-5-8-22-21(14-17)26-15-27(22)19-7-10-24-18(13-19)11-12-29-24;1-17-6-5-8-20(14-17)26-16-25-21-15-19(10-12-22(21)26)23(27)13-11-18-7-3-4-9-24(18)28-2;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/h4-8,10-11,13-16H,9,12H2,1-3H3;1-5,7-8,10,13-15H,6,9,11-12H2;3-10,12,14-16H,11,13H2,1-2H3;3-13,15-16,18H,14H2,1-2H3;2-8,10-12,14-15H,9,13H2,1H3
InChIKeyHUBBBGOGGXJAMD-UHFFFAOYSA-N
MW1887.14 g/mol
LogP27.57
Rot. Bonds27

About 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one

3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one (PubChem CID 158587877) has the molecular formula C120H106Cl2N10O8 and a molecular weight of 1887.14 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one
PubChem CID158587877
Molecular FormulaC120H106Cl2N10O8
Molecular Weight1887.14 g/mol
Exact Mass1884.76
IUPAC Name3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one
SMILESCOc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1.COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1.Cc1cccc(-n2cnc3cc(C(=O)CC(C)c4ccccc4)ccc32)c1.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccc2c(c1)CCO2
InChIInChI=1S/C25H24N2O2.C24H19ClN2O2.C24H22N2O2.C24H22N2O.C23H19ClN2O/c1-17-7-8-18(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;25-20-4-2-1-3-16(20)6-9-23(28)17-5-8-22-21(14-17)26-15-27(22)19-7-10-24-18(13-19)11-12-29-24;1-17-6-5-8-20(14-17)26-16-25-21-15-19(10-12-22(21)26)23(27)13-11-18-7-3-4-9-24(18)28-2;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/h4-8,10-11,13-16H,9,12H2,1-3H3;1-5,7-8,10,13-15H,6,9,11-12H2;3-10,12,14-16H,11,13H2,1-2H3;3-13,15-16,18H,14H2,1-2H3;2-8,10-12,14-15H,9,13H2,1H3
InChIKeyHUBBBGOGGXJAMD-UHFFFAOYSA-N
XLogP27.57
TPSA202.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.14
LogP ≤ 527.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one (CID 158587877) is 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one is COc1cccc(CCC(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)c1.COc1ccccc1CCC(=O)c1ccc2c(c1)ncn2-c1cccc(C)c1.Cc1ccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)cc1.Cc1cccc(-n2cnc3cc(C(=O)CC(C)c4ccccc4)ccc32)c1.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one?
The InChIKey is HUBBBGOGGXJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2.C24H19ClN2O2.C24H22N2O2.C24H22N2O.C23H19ClN2O/c1-17-7-8-18(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;25-20-4-2-1-3-16(20)6-9-23(28)17-5-8-22-21(14-17)26-15-27(22)19-7-10-24-18(13-19)11-12-29-24;1-17-6-5-8-20(14-17)26-16-25-21-15-19(10-12-22(21)26)23(27)13-11-18-7-3-4-9-24(18)28-2;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/h4-8,10-11,13-16H,9,12H2,1-3H3;1-5,7-8,10,13-15H,6,9,11-12H2;3-10,12,14-16H,11,13H2,1-2H3;3-13,15-16,18H,14H2,1-2H3;2-8,10-12,14-15H,9,13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one?
3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one has a molecular weight of 1887.14 g/mol, XLogP of 27.57, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]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;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 158587877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).