About 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride
6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride (PubChem CID 167540106) has the molecular formula C72H46Cl4N6O3
and a molecular weight of 1185.01 g/mol. Its IUPAC name is 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride.
Molecular Properties
| Compound Name | 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride |
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| PubChem CID | 167540106 |
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| Molecular Formula | C72H46Cl4N6O3 |
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| Molecular Weight | 1185.01 g/mol |
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| Exact Mass | 1182.24 |
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| IUPAC Name | 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride |
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| SMILES | Clc1ccc2nc(-c3ccccc3)[nH]c2c1.O=C(Cl)c1cccc2ccccc12.O=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2cc(Cl)ccc21.O=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2ccc(Cl)cc21 |
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| InChI | InChI=1S/2C24H15ClN2O.C13H9ClN2.C11H7ClO/c25-18-13-14-22-21(15-18)26-23(17-8-2-1-3-9-17)27(22)24(28)20-12-6-10-16-7-4-5-11-19(16)20;25-18-13-14-21-22(15-18)27(23(26-21)17-8-2-1-3-9-17)24(28)20-12-6-10-16-7-4-5-11-19(16)20;14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h2*1-15H;1-8H,(H,15,16);1-7H |
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| InChIKey | BBLDYNQSUCCGNI-UHFFFAOYSA-N |
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| XLogP | 19.50 |
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| TPSA | 115.53 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 85 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1185.01 |
| LogP ≤ 5 | 19.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'} |
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Analyze 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride?
The IUPAC name of 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride (CID 167540106) is 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride.
What is the SMILES notation for 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride?
The canonical SMILES for 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride is Clc1ccc2nc(-c3ccccc3)[nH]c2c1.O=C(Cl)c1cccc2ccccc12.O=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2cc(Cl)ccc21.O=C(c1cccc2ccccc12)n1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride?
The InChIKey is BBLDYNQSUCCGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H15ClN2O.C13H9ClN2.C11H7ClO/c25-18-13-14-22-21(15-18)26-23(17-8-2-1-3-9-17)27(22)24(28)20-12-6-10-16-7-4-5-11-19(16)20;25-18-13-14-21-22(15-18)27(23(26-21)17-8-2-1-3-9-17)24(28)20-12-6-10-16-7-4-5-11-19(16)20;14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h2*1-15H;1-8H,(H,15,16);1-7H.
What are the key properties of 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride?
6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride has a molecular weight of 1185.01 g/mol, XLogP of 19.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-1H-benzimidazole;(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;(6-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone;naphthalene-1-carbonyl chloride is sourced from PubChem (CID 167540106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).