5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C19H12ClF3N4O — CID 11223438

IUPAC5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc2[nH]c(Nc3ccc(Oc4cccnc4)cc3)nc2cc1Cl
InChIInChI=1S/C19H12ClF3N4O/c20-15-9-17-16(8-14(15)19(21,22)23)26-18(27-17)25-11-3-5-12(6-4-11)28-13-2-1-7-24-10-13/h1-10H,(H2,25,26,27)
InChIKeyREXXSTMEZAJADO-UHFFFAOYSA-N
MW404.78 g/mol
LogP6.17
Rot. Bonds4

About 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine

5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11223438) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11223438
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC Name5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc2[nH]c(Nc3ccc(Oc4cccnc4)cc3)nc2cc1Cl
InChIInChI=1S/C19H12ClF3N4O/c20-15-9-17-16(8-14(15)19(21,22)23)26-18(27-17)25-11-3-5-12(6-4-11)28-13-2-1-7-24-10-13/h1-10H,(H2,25,26,27)
InChIKeyREXXSTMEZAJADO-UHFFFAOYSA-N
XLogP6.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.78
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11223438) is 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc2[nH]c(Nc3ccc(Oc4cccnc4)cc3)nc2cc1Cl.
What is the InChIKey of 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is REXXSTMEZAJADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c20-15-9-17-16(8-14(15)19(21,22)23)26-18(27-17)25-11-3-5-12(6-4-11)28-13-2-1-7-24-10-13/h1-10H,(H2,25,26,27).
What are the key properties of 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 404.78 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-pyridin-3-yloxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11223438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).