N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide

C22H14ClF4N5O — CID 70833648

IUPACN-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESNc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C22H14ClF4N5O/c23-14-6-3-7-15(24)17(14)20-31-18(19(28)32-20)11-8-9-16(29-10-11)30-21(33)12-4-1-2-5-13(12)22(25,26)27/h1-10H,28H2,(H,31,32)(H,29,30,33)
InChIKeyLMXVWVYXZZZSPO-UHFFFAOYSA-N
MW475.83 g/mol
LogP5.78
Rot. Bonds4

About N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide

N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide (PubChem CID 70833648) has the molecular formula C22H14ClF4N5O and a molecular weight of 475.83 g/mol. Its IUPAC name is N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
PubChem CID70833648
Molecular FormulaC22H14ClF4N5O
Molecular Weight475.83 g/mol
Exact Mass475.08
IUPAC NameN-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
SMILESNc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C22H14ClF4N5O/c23-14-6-3-7-15(24)17(14)20-31-18(19(28)32-20)11-8-9-16(29-10-11)30-21(33)12-4-1-2-5-13(12)22(25,26)27/h1-10H,28H2,(H,31,32)(H,29,30,33)
InChIKeyLMXVWVYXZZZSPO-UHFFFAOYSA-N
XLogP5.78
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.83
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
CID 70833629
N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 25181726
2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 70833482
[7-[2-chloro-6-(trifluoromethyl)phenyl]isoquinolin-3-yl]carbamic acid
CID 129159046
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide
CID 68791286
N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
CID 71848765
N-[2-amino-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-fluorobenzamide
CID 69401637
2-chloro-3-fluorobenzoyl chloride;2-chloro-3-fluoro-N-[5-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]-2-pyridinyl]benzamide;dichloromethane;5-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]pyridin-2-amine
CID 162071909
methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
CID 170250393

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide (CID 70833648) is N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide is Nc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(NC(=O)c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
The InChIKey is LMXVWVYXZZZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF4N5O/c23-14-6-3-7-15(24)17(14)20-31-18(19(28)32-20)11-8-9-16(29-10-11)30-21(33)12-4-1-2-5-13(12)22(25,26)27/h1-10H,28H2,(H,31,32)(H,29,30,33).
What are the key properties of N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide?
N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide has a molecular weight of 475.83 g/mol, XLogP of 5.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 70833648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).