4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C22H14ClF3N4O — CID 11554044

IUPAC4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4ccc5[nH]ccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C22H14ClF3N4O/c23-17-10-13(22(24,25)26)11-19-20(17)30-21(29-19)28-14-1-3-15(4-2-14)31-16-5-6-18-12(9-16)7-8-27-18/h1-11,27H,(H2,28,29,30)
InChIKeyXVWCIPNPSPDIAN-UHFFFAOYSA-N
MW442.83 g/mol
LogP7.25
Rot. Bonds4

About 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11554044) has the molecular formula C22H14ClF3N4O and a molecular weight of 442.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11554044
Molecular FormulaC22H14ClF3N4O
Molecular Weight442.83 g/mol
Exact Mass442.08
IUPAC Name4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4ccc5[nH]ccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C22H14ClF3N4O/c23-17-10-13(22(24,25)26)11-19-20(17)30-21(29-19)28-14-1-3-15(4-2-14)31-16-5-6-18-12(9-16)7-8-27-18/h1-11,27H,(H2,28,29,30)
InChIKeyXVWCIPNPSPDIAN-UHFFFAOYSA-N
XLogP7.25
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11554044) is 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Cl)c2nc(Nc3ccc(Oc4ccc5[nH]ccc5c4)cc3)[nH]c2c1.
What is the InChIKey of 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is XVWCIPNPSPDIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N4O/c23-17-10-13(22(24,25)26)11-19-20(17)30-21(29-19)28-14-1-3-15(4-2-14)31-16-5-6-18-12(9-16)7-8-27-18/h1-11,27H,(H2,28,29,30).
What are the key properties of 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 442.83 g/mol, XLogP of 7.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1H-indol-5-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11554044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).