6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde

C65H40Cl8N6O5 — CID 167545011

IUPAC6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde
SMILESClc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1cccc(Cl)c1Cl.O=C(c1cccc(Cl)c1Cl)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=Cc1cccc2ccccc12
InChIInChI=1S/C24H13Cl3N2O.C17H11ClN2.C11H8O.C7H3Cl3O.C6H5ClN2O2/c25-15-11-12-21-20(13-15)28-23(17-8-3-6-14-5-1-2-7-16(14)17)29(21)24(30)18-9-4-10-19(26)22(18)27;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;8-5-3-1-2-4(6(5)9)7(10)11;7-4-1-2-5(8)6(3-4)9(10)11/h1-13H;1-10H,(H,19,20);1-8H;1-3H;1-3H,8H2
InChIKeyBRGALDAGIBDHFN-UHFFFAOYSA-N
MW1268.70 g/mol
LogP20.40
Rot. Bonds6

About 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde

6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde (PubChem CID 167545011) has the molecular formula C65H40Cl8N6O5 and a molecular weight of 1268.70 g/mol. Its IUPAC name is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde
PubChem CID167545011
Molecular FormulaC65H40Cl8N6O5
Molecular Weight1268.70 g/mol
Exact Mass1264.06
IUPAC Name6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde
SMILESClc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1cccc(Cl)c1Cl.O=C(c1cccc(Cl)c1Cl)n1c(-c2cccc3ccccc23)nc2cc(Cl)ccc21.O=Cc1cccc2ccccc12
InChIInChI=1S/C24H13Cl3N2O.C17H11ClN2.C11H8O.C7H3Cl3O.C6H5ClN2O2/c25-15-11-12-21-20(13-15)28-23(17-8-3-6-14-5-1-2-7-16(14)17)29(21)24(30)18-9-4-10-19(26)22(18)27;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;8-5-3-1-2-4(6(5)9)7(10)11;7-4-1-2-5(8)6(3-4)9(10)11/h1-13H;1-10H,(H,19,20);1-8H;1-3H;1-3H,8H2
InChIKeyBRGALDAGIBDHFN-UHFFFAOYSA-N
XLogP20.40
TPSA166.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001268.70
LogP ≤ 520.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde?
The IUPAC name of 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde (CID 167545011) is 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl 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)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde?
The canonical SMILES for 6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde is Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1cccc(Cl)c1Cl.O=C(c1cccc(Cl)c1Cl)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)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde?
The InChIKey is BRGALDAGIBDHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl3N2O.C17H11ClN2.C11H8O.C7H3Cl3O.C6H5ClN2O2/c25-15-11-12-21-20(13-15)28-23(17-8-3-6-14-5-1-2-7-16(14)17)29(21)24(30)18-9-4-10-19(26)22(18)27;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;8-5-3-1-2-4(6(5)9)7(10)11;7-4-1-2-5(8)6(3-4)9(10)11/h1-13H;1-10H,(H,19,20);1-8H;1-3H;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)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde?
6-chloro-2-naphthalen-1-yl-1H-benzimidazole;(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde has a molecular weight of 1268.70 g/mol, XLogP of 20.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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)-(2,3-dichlorophenyl)methanone;4-chloro-2-nitroaniline;2,3-dichlorobenzoyl chloride;naphthalene-1-carbaldehyde is sourced from PubChem (CID 167545011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).