4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde

C62H37Cl4F4N9O5 — CID 167537802

About 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde

4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde (PubChem CID 167537802) has the molecular formula C62H37Cl4F4N9O5 and a molecular weight of 1205.84 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde.

Molecular Properties

• Compound Name: 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde
• PubChem CID: 167537802
• Molecular Formula: C62H37Cl4F4N9O5
• Molecular Weight: 1205.84 g/mol
• Exact Mass: 1203.16
• IUPAC Name: 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde
• SMILES: Clc1ccc2nc(-c3ccnc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1.O=C(c1ccc(F)c(F)c1)n1c(-c2ccnc3ccccc23)nc2cc(Cl)ccc21.O=Cc1ccnc2ccccc12
• InChI: InChI=1S/C23H12ClF2N3O.C16H10ClN3.C10H7NO.C7H3ClF2O.C6H5ClN2O2/c24-14-6-8-21-20(12-14)28-22(16-9-10-27-19-4-2-1-3-15(16)19)29(21)23(30)13-5-7-17(25)18(26)11-13;17-10-5-6-14-15(9-10)20-16(19-14)12-7-8-18-13-4-2-1-3-11(12)13;12-7-8-5-6-11-10-4-2-1-3-9(8)10;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11/h1-12H;1-9H,(H,19,20);1-7H;1-3H;1-3H,8H2
• InChIKey: ATVIZJCIZWLVTK-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 205.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.84
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde?

The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde (CID 167537802) is 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde.

What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde?

The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde is Clc1ccc2nc(-c3ccnc4ccccc34)[nH]c2c1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1.O=C(c1ccc(F)c(F)c1)n1c(-c2ccnc3ccccc23)nc2cc(Cl)ccc21.O=Cc1ccnc2ccccc12.

What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde?

The InChIKey is ATVIZJCIZWLVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClF2N3O.C16H10ClN3.C10H7NO.C7H3ClF2O.C6H5ClN2O2/c24-14-6-8-21-20(12-14)28-22(16-9-10-27-19-4-2-1-3-15(16)19)29(21)23(30)13-5-7-17(25)18(26)11-13;17-10-5-6-14-15(9-10)20-16(19-14)12-7-8-18-13-4-2-1-3-11(12)13;12-7-8-5-6-11-10-4-2-1-3-9(8)10;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11/h1-12H;1-9H,(H,19,20);1-7H;1-3H;1-3H,8H2.

What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde?

4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde has a molecular weight of 1205.84 g/mol, XLogP of 16.52, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-1H-benzimidazol-2-yl)quinoline;4-chloro-2-nitroaniline;(5-chloro-2-quinolin-4-ylbenzimidazol-1-yl)-(3,4-difluorophenyl)methanone;3,4-difluorobenzoyl chloride;quinoline-4-carbaldehyde is sourced from PubChem (CID 167537802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).