3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide

C28H21F3N4O — CID 44523593

IUPAC3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
SMILESO=C(CCc1cccnc1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1
InChIInChI=1S/C28H21F3N4O/c29-28(30,31)22-11-12-24-25(16-22)35-27(34-24)20-9-7-19(8-10-20)21-4-1-5-23(15-21)33-26(36)13-6-18-3-2-14-32-17-18/h1-5,7-12,14-17H,6,13H2,(H,33,36)(H,34,35)
InChIKeyTZAINNLNNVNMGQ-UHFFFAOYSA-N
MW486.50 g/mol
LogP6.88
Rot. Bonds6

About 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide

3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide (PubChem CID 44523593) has the molecular formula C28H21F3N4O and a molecular weight of 486.50 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
PubChem CID44523593
Molecular FormulaC28H21F3N4O
Molecular Weight486.50 g/mol
Exact Mass486.17
IUPAC Name3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
SMILESO=C(CCc1cccnc1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1
InChIInChI=1S/C28H21F3N4O/c29-28(30,31)22-11-12-24-25(16-22)35-27(34-24)20-9-7-19(8-10-20)21-4-1-5-23(15-21)33-26(36)13-6-18-3-2-14-32-17-18/h1-5,7-12,14-17H,6,13H2,(H,33,36)(H,34,35)
InChIKeyTZAINNLNNVNMGQ-UHFFFAOYSA-N
XLogP6.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
The IUPAC name of 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide (CID 44523593) is 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
The canonical SMILES for 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide is O=C(CCc1cccnc1)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1.
What is the InChIKey of 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
The InChIKey is TZAINNLNNVNMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O/c29-28(30,31)22-11-12-24-25(16-22)35-27(34-24)20-9-7-19(8-10-20)21-4-1-5-23(15-21)33-26(36)13-6-18-3-2-14-32-17-18/h1-5,7-12,14-17H,6,13H2,(H,33,36)(H,34,35).
What are the key properties of 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide?
3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide has a molecular weight of 486.50 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide is sourced from PubChem (CID 44523593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).