2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol

C23H17F3N2O — CID 59007952

IUPAC2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol
SMILESOc1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H17F3N2O/c24-23(25,26)15-8-5-13(6-9-15)17-12-18(17)22-27-19-10-7-14(11-20(19)28-22)16-3-1-2-4-21(16)29/h1-11,17-18,29H,12H2,(H,27,28)
InChIKeyZGECJSDWNGNIQK-UHFFFAOYSA-N
MW394.40 g/mol
LogP6.23
Rot. Bonds3

About 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol

2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol (PubChem CID 59007952) has the molecular formula C23H17F3N2O and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol
PubChem CID59007952
Molecular FormulaC23H17F3N2O
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol
SMILESOc1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H17F3N2O/c24-23(25,26)15-8-5-13(6-9-15)17-12-18(17)22-27-19-10-7-14(11-20(19)28-22)16-3-1-2-4-21(16)29/h1-11,17-18,29H,12H2,(H,27,28)
InChIKeyZGECJSDWNGNIQK-UHFFFAOYSA-N
XLogP6.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol?
The IUPAC name of 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol (CID 59007952) is 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol?
The canonical SMILES for 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol is Oc1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol?
The InChIKey is ZGECJSDWNGNIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O/c24-23(25,26)15-8-5-13(6-9-15)17-12-18(17)22-27-19-10-7-14(11-20(19)28-22)16-3-1-2-4-21(16)29/h1-11,17-18,29H,12H2,(H,27,28).
What are the key properties of 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol?
2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol has a molecular weight of 394.40 g/mol, XLogP of 6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenol is sourced from PubChem (CID 59007952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).