N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C23H20ClF3N4O — CID 69292411

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 69292411) has the molecular formula C23H20ClF3N4O and a molecular weight of 460.89 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
• PubChem CID: 69292411
• Molecular Formula: C23H20ClF3N4O
• Molecular Weight: 460.89 g/mol
• Exact Mass: 460.13
• IUPAC Name: N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
• SMILES: CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/C23H20ClF3N4O/c1-22(2,3)13-7-4-5-9-19(13)32-20-16(8-6-10-28-20)29-21-30-17-11-14(23(25,26)27)15(24)12-18(17)31-21/h4-12H,1-3H3,(H2,29,30,31)
• InChIKey: QAGMVTMJXKSNJZ-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.89
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 69292411) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1.

What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

The InChIKey is QAGMVTMJXKSNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O/c1-22(2,3)13-7-4-5-9-19(13)32-20-16(8-6-10-28-20)29-21-30-17-11-14(23(25,26)27)15(24)12-18(17)31-21/h4-12H,1-3H3,(H2,29,30,31).

What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine?

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 460.89 g/mol, XLogP of 7.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 69292411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).