benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde

C73H47Cl5F4N8O6 — CID 167538576

IUPACbenzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde
SMILESFc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccccc1.O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2cc(Cl)ccc21.O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2ccc(Cl)cc21.O=Cc1ccc(F)cc1
InChIInChI=1S/2C20H12ClFN2O.C13H8ClFN2.C7H5ClO.C7H5FO.C6H5ClN2O2/c21-15-8-11-18-17(12-15)23-19(13-6-9-16(22)10-7-13)24(18)20(25)14-4-2-1-3-5-14;21-15-8-11-17-18(12-15)24(20(25)14-4-2-1-3-5-14)19(23-17)13-6-9-16(22)10-7-13;14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8;8-7(9)6-4-2-1-3-5-6;8-7-3-1-6(5-9)2-4-7;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-12H;1-7H,(H,16,17);2*1-5H;1-3H,8H2
InChIKeyAWIGGYHCCKWQQQ-UHFFFAOYSA-N
MW1385.49 g/mol
LogP19.93
Rot. Bonds8

About benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde

benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde (PubChem CID 167538576) has the molecular formula C73H47Cl5F4N8O6 and a molecular weight of 1385.49 g/mol. Its IUPAC name is benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde.

Molecular Properties

Compound Namebenzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde
PubChem CID167538576
Molecular FormulaC73H47Cl5F4N8O6
Molecular Weight1385.49 g/mol
Exact Mass1382.20
IUPAC Namebenzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde
SMILESFc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccccc1.O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2cc(Cl)ccc21.O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2ccc(Cl)cc21.O=Cc1ccc(F)cc1
InChIInChI=1S/2C20H12ClFN2O.C13H8ClFN2.C7H5ClO.C7H5FO.C6H5ClN2O2/c21-15-8-11-18-17(12-15)23-19(13-6-9-16(22)10-7-13)24(18)20(25)14-4-2-1-3-5-14;21-15-8-11-17-18(12-15)24(20(25)14-4-2-1-3-5-14)19(23-17)13-6-9-16(22)10-7-13;14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8;8-7(9)6-4-2-1-3-5-6;8-7-3-1-6(5-9)2-4-7;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-12H;1-7H,(H,16,17);2*1-5H;1-3H,8H2
InChIKeyAWIGGYHCCKWQQQ-UHFFFAOYSA-N
XLogP19.93
TPSA201.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.49
LogP ≤ 519.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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 benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde?
The IUPAC name of benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde (CID 167538576) is benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde.
What is the SMILES notation for benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde?
The canonical SMILES for benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde is Fc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccccc1.O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2cc(Cl)ccc21.O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2ccc(Cl)cc21.O=Cc1ccc(F)cc1.
What is the InChIKey of benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde?
The InChIKey is AWIGGYHCCKWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12ClFN2O.C13H8ClFN2.C7H5ClO.C7H5FO.C6H5ClN2O2/c21-15-8-11-18-17(12-15)23-19(13-6-9-16(22)10-7-13)24(18)20(25)14-4-2-1-3-5-14;21-15-8-11-17-18(12-15)24(20(25)14-4-2-1-3-5-14)19(23-17)13-6-9-16(22)10-7-13;14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8;8-7(9)6-4-2-1-3-5-6;8-7-3-1-6(5-9)2-4-7;7-4-1-2-5(8)6(3-4)9(10)11/h2*1-12H;1-7H,(H,16,17);2*1-5H;1-3H,8H2.
What are the key properties of benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde?
benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde has a molecular weight of 1385.49 g/mol, XLogP of 19.93, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;6-chloro-2-(4-fluorophenyl)-1H-benzimidazole;[5-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]-phenylmethanone;4-chloro-2-nitroaniline;4-fluorobenzaldehyde is sourced from PubChem (CID 167538576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).