3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one

C115H94Cl5FN10O5 — CID 159444015

IUPAC3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one
SMILESCc1ccc(F)c(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1C.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C24H21ClN2O.C23H18ClFN2O.2C23H19ClN2O.C22H17ClN2O/c1-16-6-5-9-22(17(16)2)27-15-26-21-14-19(10-12-23(21)27)24(28)13-11-18-7-3-4-8-20(18)25;1-15-6-9-19(25)22(12-15)27-14-26-20-13-17(7-10-21(20)27)23(28)11-8-16-4-2-3-5-18(16)24;2*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;23-19-9-5-4-6-16(19)11-13-22(26)17-10-12-21-20(14-17)24-15-25(21)18-7-2-1-3-8-18/h3-10,12,14-15H,11,13H2,1-2H3;2-7,9-10,12-14H,8,11H2,1H3;2*2-9,11,13-15H,10,12H2,1H3;1-10,12,14-15H,11,13H2
InChIKeyLSNNLSPZLWVIFR-UHFFFAOYSA-N
MW1892.34 g/mol
LogP29.15
Rot. Bonds25

About 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one

3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one (PubChem CID 159444015) has the molecular formula C115H94Cl5FN10O5 and a molecular weight of 1892.34 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one
PubChem CID159444015
Molecular FormulaC115H94Cl5FN10O5
Molecular Weight1892.34 g/mol
Exact Mass1888.58
IUPAC Name3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one
SMILESCc1ccc(F)c(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1C.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C24H21ClN2O.C23H18ClFN2O.2C23H19ClN2O.C22H17ClN2O/c1-16-6-5-9-22(17(16)2)27-15-26-21-14-19(10-12-23(21)27)24(28)13-11-18-7-3-4-8-20(18)25;1-15-6-9-19(25)22(12-15)27-14-26-20-13-17(7-10-21(20)27)23(28)11-8-16-4-2-3-5-18(16)24;2*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;23-19-9-5-4-6-16(19)11-13-22(26)17-10-12-21-20(14-17)24-15-25(21)18-7-2-1-3-8-18/h3-10,12,14-15H,11,13H2,1-2H3;2-7,9-10,12-14H,8,11H2,1H3;2*2-9,11,13-15H,10,12H2,1H3;1-10,12,14-15H,11,13H2
InChIKeyLSNNLSPZLWVIFR-UHFFFAOYSA-N
XLogP29.15
TPSA174.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.34
LogP ≤ 529.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-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-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one (CID 159444015) is 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one is Cc1ccc(F)c(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1C.O=C(CCc1ccccc1Cl)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one?
The InChIKey is LSNNLSPZLWVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O.C23H18ClFN2O.2C23H19ClN2O.C22H17ClN2O/c1-16-6-5-9-22(17(16)2)27-15-26-21-14-19(10-12-23(21)27)24(28)13-11-18-7-3-4-8-20(18)25;1-15-6-9-19(25)22(12-15)27-14-26-20-13-17(7-10-21(20)27)23(28)11-8-16-4-2-3-5-18(16)24;2*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;23-19-9-5-4-6-16(19)11-13-22(26)17-10-12-21-20(14-17)24-15-25(21)18-7-2-1-3-8-18/h3-10,12,14-15H,11,13H2,1-2H3;2-7,9-10,12-14H,8,11H2,1H3;2*2-9,11,13-15H,10,12H2,1H3;1-10,12,14-15H,11,13H2.
What are the key properties of 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one?
3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one has a molecular weight of 1892.34 g/mol, XLogP of 29.15, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[1-(2,3-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2-fluoro-5-methylphenyl)benzimidazol-5-yl]propan-1-one;bis(3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one);3-(2-chlorophenyl)-1-(1-phenylbenzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 159444015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).