N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine

C20H12F6N4O — CID 11212784

IUPACN-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)11-8-15(20(24,25)26)17-16(9-11)29-18(30-17)28-12-3-5-13(6-4-12)31-14-2-1-7-27-10-14/h1-10H,(H2,28,29,30)
InChIKeyLEYKJJMLIMYJAE-UHFFFAOYSA-N
MW438.33 g/mol
LogP6.53
Rot. Bonds4

About N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine

N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11212784) has the molecular formula C20H12F6N4O and a molecular weight of 438.33 g/mol. Its IUPAC name is N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11212784
Molecular FormulaC20H12F6N4O
Molecular Weight438.33 g/mol
Exact Mass438.09
IUPAC NameN-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C20H12F6N4O/c21-19(22,23)11-8-15(20(24,25)26)17-16(9-11)29-18(30-17)28-12-3-5-13(6-4-12)31-14-2-1-7-27-10-14/h1-10H,(H2,28,29,30)
InChIKeyLEYKJJMLIMYJAE-UHFFFAOYSA-N
XLogP6.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11212784) is N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(C(F)(F)F)c2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is LEYKJJMLIMYJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O/c21-19(22,23)11-8-15(20(24,25)26)17-16(9-11)29-18(30-17)28-12-3-5-13(6-4-12)31-14-2-1-7-27-10-14/h1-10H,(H2,28,29,30).
What are the key properties of N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine?
N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 438.33 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yloxyphenyl)-4,6-bis(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11212784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).