5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde

C65H55Cl3F2N8O4 — CID 167590634

IUPAC5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde
SMILESC.C.C.COc1ccc(F)cn1.Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Fc1ccc(-n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)nc1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12
InChIInChI=1S/C22H13ClFN3.C17H11ClN2.C11H8O.C6H5ClN2O2.C6H6FNO.3CH4/c23-15-8-10-20-19(12-15)26-22(27(20)21-11-9-16(24)13-25-21)18-7-3-5-14-4-1-2-6-17(14)18;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;7-4-1-2-5(8)6(3-4)9(10)11;1-9-6-3-2-5(7)4-8-6;;;/h1-13H;1-10H,(H,19,20);1-8H;1-3H,8H2;2-4H,1H3;3*1H4
InChIKeyIJRYOMQHVXTDIK-UHFFFAOYSA-N
MW1156.56 g/mol
LogP18.69
Rot. Bonds6

About 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde

5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde (PubChem CID 167590634) has the molecular formula C65H55Cl3F2N8O4 and a molecular weight of 1156.56 g/mol. Its IUPAC name is 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde
PubChem CID167590634
Molecular FormulaC65H55Cl3F2N8O4
Molecular Weight1156.56 g/mol
Exact Mass1154.34
IUPAC Name5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde
SMILESC.C.C.COc1ccc(F)cn1.Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Fc1ccc(-n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)nc1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12
InChIInChI=1S/C22H13ClFN3.C17H11ClN2.C11H8O.C6H5ClN2O2.C6H6FNO.3CH4/c23-15-8-10-20-19(12-15)26-22(27(20)21-11-9-16(24)13-25-21)18-7-3-5-14-4-1-2-6-17(14)18;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;7-4-1-2-5(8)6(3-4)9(10)11;1-9-6-3-2-5(7)4-8-6;;;/h1-13H;1-10H,(H,19,20);1-8H;1-3H,8H2;2-4H,1H3;3*1H4
InChIKeyIJRYOMQHVXTDIK-UHFFFAOYSA-N
XLogP18.69
TPSA167.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.56
LogP ≤ 518.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde?
The IUPAC name of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde (CID 167590634) is 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde?
The canonical SMILES for 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde is C.C.C.COc1ccc(F)cn1.Clc1ccc2nc(-c3cccc4ccccc34)[nH]c2c1.Fc1ccc(-n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)nc1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=Cc1cccc2ccccc12.
What is the InChIKey of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde?
The InChIKey is IJRYOMQHVXTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3.C17H11ClN2.C11H8O.C6H5ClN2O2.C6H6FNO.3CH4/c23-15-8-10-20-19(12-15)26-22(27(20)21-11-9-16(24)13-25-21)18-7-3-5-14-4-1-2-6-17(14)18;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;7-4-1-2-5(8)6(3-4)9(10)11;1-9-6-3-2-5(7)4-8-6;;;/h1-13H;1-10H,(H,19,20);1-8H;1-3H,8H2;2-4H,1H3;3*1H4.
What are the key properties of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde?
5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde has a molecular weight of 1156.56 g/mol, XLogP of 18.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole;6-chloro-2-naphthalen-1-yl-1H-benzimidazole;4-chloro-2-nitroaniline;5-fluoro-2-methoxypyridine;methane;naphthalene-1-carbaldehyde is sourced from PubChem (CID 167590634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).