About 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride
6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride (PubChem CID 167686781) has the molecular formula C92H56Cl5F9N8O6S3
and a molecular weight of 1813.96 g/mol. Its IUPAC name is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride.
Molecular Properties
| Compound Name | 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride |
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| PubChem CID | 167686781 |
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| Molecular Formula | C92H56Cl5F9N8O6S3 |
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| Molecular Weight | 1813.96 g/mol |
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| Exact Mass | 1810.18 |
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| IUPAC Name | 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride |
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| SMILES | Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(SC(F)(F)F)cc1.O=C(c1ccc(SC(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=C(c1ccc(SC(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21.O=Cc1cccc2ccccc12 |
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| InChI | InChI=1S/2C25H14ClF3N2OS.C17H11ClN2.C11H8O.C8H4ClF3OS.C6H5ClN2O2/c26-17-10-13-22-21(14-17)30-23(20-7-3-5-15-4-1-2-6-19(15)20)31(22)24(32)16-8-11-18(12-9-16)33-25(27,28)29;26-17-10-13-21-22(14-17)31(24(32)16-8-11-18(12-9-16)33-25(27,28)29)23(30-21)20-7-3-5-15-4-1-2-6-19(15)20;18-12-8-9-15-16(10-12)20-17(19-15)14-7-3-5-11-4-1-2-6-13(11)14;12-8-10-6-3-5-9-4-1-2-7-11(9)10;9-7(13)5-1-3-6(4-2-5)14-8(10,11)12;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-14H;1-10H,(H,19,20);1-8H;1-4H;1-3H,8H2 |
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| InChIKey | WIERRTKKPNQYDI-UHFFFAOYSA-N |
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| XLogP | 28.82 |
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| TPSA | 201.76 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 123 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1813.96 |
| LogP ≤ 5 | 28.82 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride?
The IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride (CID 167686781) is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride.
What is the SMILES notation for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride?
The canonical SMILES for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride is Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(SC(F)(F)F)cc1.O=C(c1ccc(SC(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=C(c1ccc(SC(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2ccc(Cl)cc21.O=Cc1cccc2ccccc12.
What is the InChIKey of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride?
The InChIKey is WIERRTKKPNQYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H14ClF3N2OS.C17H11ClN2.C11H8O.C8H4ClF3OS.C6H5ClN2O2/c26-17-10-13-22-21(14-17)30-23(20-7-3-5-15-4-1-2-6-19(15)20)31(22)24(32)16-8-11-18(12-9-16)33-25(27,28)29;26-17-10-13-21-22(14-17)31(24(32)16-8-11-18(12-9-16)33-25(27,28)29)23(30-21)20-7-3-5-15-4-1-2-6-19(15)20;18-12-8-9-15-16(10-12)20-17(19-15)14-7-3-5-11-4-1-2-6-13(11)14;12-8-10-6-3-5-9-4-1-2-7-11(9)10;9-7(13)5-1-3-6(4-2-5)14-8(10,11)12;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-14H;1-10H,(H,19,20);1-8H;1-4H;1-3H,8H2.
What are the key properties of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride?
6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride has a molecular weight of 1813.96 g/mol, XLogP of 28.82, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethylsulfanyl)benzoyl chloride is sourced from PubChem (CID 167686781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).