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

C118H101Cl3N10O8 — CID 159513805

IUPAC3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-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-c1cccc(C)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1ccccc1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccc2c(c1)CCO2
InChIInChI=1S/C24H19ClN2O2.2C24H22N2O2.2C23H19ClN2O/c25-20-4-2-1-3-16(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;1-17-5-3-7-20(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;1-17-6-5-8-20(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;1-16-6-2-5-9-21(16)26-15-25-20-14-18(10-12-22(20)26)23(27)13-11-17-7-3-4-8-19(17)24;1-16-5-4-7-19(13-16)26-15-25-21-14-18(9-11-22(21)26)23(27)12-10-17-6-2-3-8-20(17)24/h1-5,7-8,10,13-15H,6,9,11-12H2;3-8,10-11,13-16H,9,12H2,1-2H3;3-10,12,14-16H,11,13H2,1-2H3;2-10,12,14-15H,11,13H2,1H3;2-9,11,13-15H,10,12H2,1H3
InChIKeyMAXTTZXTJPUYLG-UHFFFAOYSA-N
MW1893.53 g/mol
LogP27.35
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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one (PubChem CID 159513805) has the molecular formula C118H101Cl3N10O8 and a molecular weight of 1893.53 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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
PubChem CID159513805
Molecular FormulaC118H101Cl3N10O8
Molecular Weight1893.53 g/mol
Exact Mass1890.69
IUPAC Name3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-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-c1cccc(C)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1ccccc1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccc2c(c1)CCO2
InChIInChI=1S/C24H19ClN2O2.2C24H22N2O2.2C23H19ClN2O/c25-20-4-2-1-3-16(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;1-17-5-3-7-20(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;1-17-6-5-8-20(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;1-16-6-2-5-9-21(16)26-15-25-20-14-18(10-12-22(20)26)23(27)13-11-17-7-3-4-8-19(17)24;1-16-5-4-7-19(13-16)26-15-25-21-14-18(9-11-22(21)26)23(27)12-10-17-6-2-3-8-20(17)24/h1-5,7-8,10,13-15H,6,9,11-12H2;3-8,10-11,13-16H,9,12H2,1-2H3;3-10,12,14-16H,11,13H2,1-2H3;2-10,12,14-15H,11,13H2,1H3;2-9,11,13-15H,10,12H2,1H3
InChIKeyMAXTTZXTJPUYLG-UHFFFAOYSA-N
XLogP27.35
TPSA202.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001893.53
LogP ≤ 527.35
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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one (CID 159513805) is 3-(2-chlorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-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-c1cccc(C)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1ccccc1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21.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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one?
The InChIKey is MAXTTZXTJPUYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2.2C24H22N2O2.2C23H19ClN2O/c25-20-4-2-1-3-16(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;1-17-5-3-7-20(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;1-17-6-5-8-20(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;1-16-6-2-5-9-21(16)26-15-25-20-14-18(10-12-22(20)26)23(27)13-11-17-7-3-4-8-19(17)24;1-16-5-4-7-19(13-16)26-15-25-21-14-18(9-11-22(21)26)23(27)12-10-17-6-2-3-8-20(17)24/h1-5,7-8,10,13-15H,6,9,11-12H2;3-8,10-11,13-16H,9,12H2,1-2H3;3-10,12,14-16H,11,13H2,1-2H3;2-10,12,14-15H,11,13H2,1H3;2-9,11,13-15H,10,12H2,1H3.
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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one has a molecular weight of 1893.53 g/mol, XLogP of 27.35, 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-(2-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;3-(3-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one is sourced from PubChem (CID 159513805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).