5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide

C22H16Cl2FN3O2 — CID 59451373

IUPAC5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cl)c(Oc3cccc4ccccc34)c2F)c(Cl)[nH]1
InChIInChI=1S/C22H16Cl2FN3O2/c1-12-27-19(21(24)28-12)22(29)26-11-14-9-10-16(23)20(18(14)25)30-17-8-4-6-13-5-2-3-7-15(13)17/h2-10H,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyFXZLWRYCQLNENQ-UHFFFAOYSA-N
MW444.29 g/mol
LogP6.04
Rot. Bonds5

About 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide

5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide (PubChem CID 59451373) has the molecular formula C22H16Cl2FN3O2 and a molecular weight of 444.29 g/mol. Its IUPAC name is 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide
PubChem CID59451373
Molecular FormulaC22H16Cl2FN3O2
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cl)c(Oc3cccc4ccccc34)c2F)c(Cl)[nH]1
InChIInChI=1S/C22H16Cl2FN3O2/c1-12-27-19(21(24)28-12)22(29)26-11-14-9-10-16(23)20(18(14)25)30-17-8-4-6-13-5-2-3-7-15(13)17/h2-10H,11H2,1H3,(H,26,29)(H,27,28)
InChIKeyFXZLWRYCQLNENQ-UHFFFAOYSA-N
XLogP6.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.29
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2-acetamido-5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68721880
N-[[3-[(4-amino-6-chloro-2-pyridinyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
CID 89218707
N-[[3-(3-amino-5-methoxyphenoxy)-4-chloro-2-fluorophenyl]methyl]-5-chloro-1H-imidazole-4-carboxamide
CID 89218680
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-benzimidazole-2-carboxamide
CID 59451461
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
2-acetyl-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68794729
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-bromo-2-(methoxymethyl)-1H-imidazole-4-carboxamide
CID 89218682
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]pyridine-2-carboxamide
CID 89218603
2-chloro-N-[(1-fluoronaphthalen-2-yl)methyl]acetamide
CID 166415097

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide (CID 59451373) is 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide is Cc1nc(C(=O)NCc2ccc(Cl)c(Oc3cccc4ccccc34)c2F)c(Cl)[nH]1.
What is the InChIKey of 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide?
The InChIKey is FXZLWRYCQLNENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O2/c1-12-27-19(21(24)28-12)22(29)26-11-14-9-10-16(23)20(18(14)25)30-17-8-4-6-13-5-2-3-7-15(13)17/h2-10H,11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide?
5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide has a molecular weight of 444.29 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chloro-2-fluoro-3-naphthalen-1-yloxyphenyl)methyl]-2-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 59451373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).