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

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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).