6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride

C67H42Cl4F6N6O7 — CID 167553695

About 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride

6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride (PubChem CID 167553695) has the molecular formula C67H42Cl4F6N6O7 and a molecular weight of 1298.91 g/mol. Its IUPAC name is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

• Compound Name: 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride
• PubChem CID: 167553695
• Molecular Formula: C67H42Cl4F6N6O7
• Molecular Weight: 1298.91 g/mol
• Exact Mass: 1296.18
• IUPAC Name: 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride
• SMILES: Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(OC(F)(F)F)cc1.O=C(c1ccc(OC(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=Cc1cccc2ccccc12
• InChI: InChI=1S/C25H14ClF3N2O2.C17H11ClN2.C11H8O.C8H4ClF3O2.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;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/h1-14H;1-10H,(H,19,20);1-8H;1-4H;1-3H,8H2
• InChIKey: CSQPRDGFYBFICG-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 185.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1298.91
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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'}

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-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride?

The IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride (CID 167553695) is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride?

The canonical SMILES for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride is Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(OC(F)(F)F)cc1.O=C(c1ccc(OC(F)(F)F)cc1)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=Cc1cccc2ccccc12.

What is the InChIKey of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride?

The InChIKey is CSQPRDGFYBFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClF3N2O2.C17H11ClN2.C11H8O.C8H4ClF3O2.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;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/h1-14H;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-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride?

6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride has a molecular weight of 1298.91 g/mol, XLogP of 19.58, 8 rotatable bonds, 2 hydrogen bond donors, and 11 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-(trifluoromethoxy)phenyl]methanone;4-chloro-2-nitroaniline;naphthalene-1-carbaldehyde;4-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 167553695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).