6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride

C56H28Cl7F13N6O5 — CID 167668154

IUPAC6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride
SMILESFC(F)(F)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1Cl.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1.O=C(c1ccc(F)c(F)c1)n1c(-c2cccc(C(F)(F)F)c2Cl)nc2cc(Cl)ccc21.O=Cc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C21H9Cl2F5N2O.C14H7Cl2F3N2.C8H4ClF3O.C7H3ClF2O.C6H5ClN2O2/c22-11-5-7-17-16(9-11)29-19(12-2-1-3-13(18(12)23)21(26,27)28)30(17)20(31)10-4-6-14(24)15(25)8-10;15-7-4-5-10-11(6-7)21-13(20-10)8-2-1-3-9(12(8)16)14(17,18)19;9-7-5(4-13)2-1-3-6(7)8(10,11)12;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11/h1-9H;1-6H,(H,20,21);1-4H;1-3H;1-3H,8H2
InChIKeySXZGWYYEYUFNHT-UHFFFAOYSA-N
MW1360.02 g/mol
LogP19.90
Rot. Bonds6

About 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride

6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride (PubChem CID 167668154) has the molecular formula C56H28Cl7F13N6O5 and a molecular weight of 1360.02 g/mol. Its IUPAC name is 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride.

Molecular Properties

Compound Name6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride
PubChem CID167668154
Molecular FormulaC56H28Cl7F13N6O5
Molecular Weight1360.02 g/mol
Exact Mass1355.97
IUPAC Name6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride
SMILESFC(F)(F)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1Cl.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1.O=C(c1ccc(F)c(F)c1)n1c(-c2cccc(C(F)(F)F)c2Cl)nc2cc(Cl)ccc21.O=Cc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C21H9Cl2F5N2O.C14H7Cl2F3N2.C8H4ClF3O.C7H3ClF2O.C6H5ClN2O2/c22-11-5-7-17-16(9-11)29-19(12-2-1-3-13(18(12)23)21(26,27)28)30(17)20(31)10-4-6-14(24)15(25)8-10;15-7-4-5-10-11(6-7)21-13(20-10)8-2-1-3-9(12(8)16)14(17,18)19;9-7-5(4-13)2-1-3-6(7)8(10,11)12;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11/h1-9H;1-6H,(H,20,21);1-4H;1-3H;1-3H,8H2
InChIKeySXZGWYYEYUFNHT-UHFFFAOYSA-N
XLogP19.90
TPSA166.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.02
LogP ≤ 519.90
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'}

Analyze 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride?
The IUPAC name of 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride (CID 167668154) is 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride.
What is the SMILES notation for 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride?
The canonical SMILES for 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride is FC(F)(F)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1Cl.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1.O=C(c1ccc(F)c(F)c1)n1c(-c2cccc(C(F)(F)F)c2Cl)nc2cc(Cl)ccc21.O=Cc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride?
The InChIKey is SXZGWYYEYUFNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9Cl2F5N2O.C14H7Cl2F3N2.C8H4ClF3O.C7H3ClF2O.C6H5ClN2O2/c22-11-5-7-17-16(9-11)29-19(12-2-1-3-13(18(12)23)21(26,27)28)30(17)20(31)10-4-6-14(24)15(25)8-10;15-7-4-5-10-11(6-7)21-13(20-10)8-2-1-3-9(12(8)16)14(17,18)19;9-7-5(4-13)2-1-3-6(7)8(10,11)12;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11/h1-9H;1-6H,(H,20,21);1-4H;1-3H;1-3H,8H2.
What are the key properties of 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride?
6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride has a molecular weight of 1360.02 g/mol, XLogP of 19.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-benzimidazole;[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;4-chloro-2-nitroaniline;2-chloro-3-(trifluoromethyl)benzaldehyde;3,4-difluorobenzoyl chloride is sourced from PubChem (CID 167668154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).