About 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde
6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde (PubChem CID 167610377) has the molecular formula C92H65Cl5N8O9
and a molecular weight of 1603.84 g/mol. Its IUPAC name is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde.
Molecular Properties
| Compound Name | 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde |
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| PubChem CID | 167610377 |
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| Molecular Formula | C92H65Cl5N8O9 |
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| Molecular Weight | 1603.84 g/mol |
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| Exact Mass | 1600.33 |
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| IUPAC Name | 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde |
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| SMILES | COc1ccc(C(=O)Cl)cc1.COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1.COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1.Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12 |
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| InChI | InChI=1S/2C25H17ClN2O2.C17H11ClN2.C11H8O.C8H7ClO2.C6H5ClN2O2/c1-30-19-12-9-17(10-13-19)25(29)28-23-14-11-18(26)15-22(23)27-24(28)21-8-4-6-16-5-2-3-7-20(16)21;1-30-19-12-9-17(10-13-19)25(29)28-23-15-18(26)11-14-22(23)27-24(28)21-8-4-6-16-5-2-3-7-20(16)21;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;1-11-7-4-2-6(3-5-7)8(9)10;7-4-1-2-5(8)6(3-4)9(10)11/h2*2-15H,1H3;1-10H,(H,19,20);1-8H;2-5H,1H3;1-3H,8H2 |
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| InChIKey | KYPMIRYBAZSJAL-UHFFFAOYSA-N |
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| XLogP | 24.01 |
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| TPSA | 229.45 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 | 114 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1603.84 |
| LogP ≤ 5 | 24.01 |
| 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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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-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde?
The IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde (CID 167610377) is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde.
What is the SMILES notation for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde?
The canonical SMILES for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde is COc1ccc(C(=O)Cl)cc1.COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1.COc1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3ccc(Cl)cc32)cc1.Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12.
What is the InChIKey of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde?
The InChIKey is KYPMIRYBAZSJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H17ClN2O2.C17H11ClN2.C11H8O.C8H7ClO2.C6H5ClN2O2/c1-30-19-12-9-17(10-13-19)25(29)28-23-14-11-18(26)15-22(23)27-24(28)21-8-4-6-16-5-2-3-7-20(16)21;1-30-19-12-9-17(10-13-19)25(29)28-23-15-18(26)11-14-22(23)27-24(28)21-8-4-6-16-5-2-3-7-20(16)21;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;1-11-7-4-2-6(3-5-7)8(9)10;7-4-1-2-5(8)6(3-4)9(10)11/h2*2-15H,1H3;1-10H,(H,19,20);1-8H;2-5H,1H3;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-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde?
6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde has a molecular weight of 1603.84 g/mol, XLogP of 24.01, 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-methoxyphenyl)methanone;(6-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(4-methoxyphenyl)methanone;4-chloro-2-nitroaniline;4-methoxybenzoyl chloride;naphthalene-1-carbaldehyde is sourced from PubChem (CID 167610377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).