5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide

C24H17ClF3N5O2 — CID 118725677

IUPAC5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/C24H17ClF3N5O2/c1-13-2-4-15(32-22(34)14-3-6-19(25)18(10-14)24(26,27)28)11-17(13)23(35)33-16-5-7-20(31-12-16)21-29-8-9-30-21/h2-12H,1H3,(H,29,30)(H,32,34)(H,33,35)
InChIKeyXWHHEZONBRIYJA-UHFFFAOYSA-N
MW499.88 g/mol
LogP5.96
Rot. Bonds5

About 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide

5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide (PubChem CID 118725677) has the molecular formula C24H17ClF3N5O2 and a molecular weight of 499.88 g/mol. Its IUPAC name is 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
PubChem CID118725677
Molecular FormulaC24H17ClF3N5O2
Molecular Weight499.88 g/mol
Exact Mass499.10
IUPAC Name5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)nc1
InChIInChI=1S/C24H17ClF3N5O2/c1-13-2-4-15(32-22(34)14-3-6-19(25)18(10-14)24(26,27)28)11-17(13)23(35)33-16-5-7-20(31-12-16)21-29-8-9-30-21/h2-12H,1H3,(H,29,30)(H,32,34)(H,33,35)
InChIKeyXWHHEZONBRIYJA-UHFFFAOYSA-N
XLogP5.96
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.88
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
The IUPAC name of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide (CID 118725677) is 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)nc1.
What is the InChIKey of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
The InChIKey is XWHHEZONBRIYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2/c1-13-2-4-15(32-22(34)14-3-6-19(25)18(10-14)24(26,27)28)11-17(13)23(35)33-16-5-7-20(31-12-16)21-29-8-9-30-21/h2-12H,1H3,(H,29,30)(H,32,34)(H,33,35).
What are the key properties of 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide?
5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 499.88 g/mol, XLogP of 5.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]-N-[6-(1H-imidazol-2-yl)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 118725677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).