N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

C23H18F3N3O2 — CID 71731266

IUPACN-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(NCCO)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C23H18F3N3O2/c24-23(25,26)18-9-10-19-20(13-18)29-21(28-19)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(31)27-11-12-30/h1-10,13,30H,11-12H2,(H,27,31)(H,28,29)
InChIKeyJHUATWQNDUUMHX-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.64
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 71731266) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID71731266
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESO=C(NCCO)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C23H18F3N3O2/c24-23(25,26)18-9-10-19-20(13-18)29-21(28-19)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(31)27-11-12-30/h1-10,13,30H,11-12H2,(H,27,31)(H,28,29)
InChIKeyJHUATWQNDUUMHX-UHFFFAOYSA-N
XLogP4.64
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 71731266) is N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is O=C(NCCO)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is JHUATWQNDUUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c24-23(25,26)18-9-10-19-20(13-18)29-21(28-19)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(31)27-11-12-30/h1-10,13,30H,11-12H2,(H,27,31)(H,28,29).
What are the key properties of N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 425.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71731266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).