5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid

C21H12Cl4F4N4O4 — CID 71589378

IUPAC5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3Cl)c2F)c(Cl)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H11Cl4FN4O2.C2HF3O2/c1-8-27-16(18(23)28-8)19(29)26-7-9-2-3-12(21)17(15(9)24)30-13-5-11(20)4-10(6-25)14(13)22;3-2(4,5)1(6)7/h2-5H,7H2,1H3,(H,26,29)(H,27,28);(H,6,7)
InChIKeyGCTGFPCWYSANAM-UHFFFAOYSA-N
MW602.16 g/mol
LogP6.70
Rot. Bonds5

About 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid

5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 71589378) has the molecular formula C21H12Cl4F4N4O4 and a molecular weight of 602.16 g/mol. Its IUPAC name is 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID71589378
Molecular FormulaC21H12Cl4F4N4O4
Molecular Weight602.16 g/mol
Exact Mass599.95
IUPAC Name5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3Cl)c2F)c(Cl)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H11Cl4FN4O2.C2HF3O2/c1-8-27-16(18(23)28-8)19(29)26-7-9-2-3-12(21)17(15(9)24)30-13-5-11(20)4-10(6-25)14(13)22;3-2(4,5)1(6)7/h2-5H,7H2,1H3,(H,26,29)(H,27,28);(H,6,7)
InChIKeyGCTGFPCWYSANAM-UHFFFAOYSA-N
XLogP6.70
TPSA128.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.16
LogP ≤ 56.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-chloro-N-[[4-chloro-3-[3-cyano-5-(difluoromethyl)phenoxy]-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 71589360
5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide
CID 59451373
2-acetamido-5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68721880
5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-ethyl-1H-imidazole-4-carboxamide
CID 59451438
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 71589400
2-amino-5-chloro-N-[[4-chloro-3-(3-cyano-5-cyclopropylphenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 86644951
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 71589265
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87468943
2-acetyl-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68794729
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 86644904
acetic acid;N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 162337427
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-5-carboxamide
CID 59451608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 71589378) is 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3Cl)c2F)c(Cl)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GCTGFPCWYSANAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4FN4O2.C2HF3O2/c1-8-27-16(18(23)28-8)19(29)26-7-9-2-3-12(21)17(15(9)24)30-13-5-11(20)4-10(6-25)14(13)22;3-2(4,5)1(6)7/h2-5H,7H2,1H3,(H,26,29)(H,27,28);(H,6,7).
What are the key properties of 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid?
5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 602.16 g/mol, XLogP of 6.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-chloro-3-(2,5-dichloro-3-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71589378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).