3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide

C26H18F3N3O2 — CID 44530615

IUPAC3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C26H18F3N3O2/c1-15-10-11-34-23(15)25(33)30-20-7-3-5-17(13-20)16-4-2-6-18(12-16)24-31-21-9-8-19(26(27,28)29)14-22(21)32-24/h2-14H,1H3,(H,30,33)(H,31,32)
InChIKeyJUQNUGHGJPAMTF-UHFFFAOYSA-N
MW461.44 g/mol
LogP7.07
Rot. Bonds4

About 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide

3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide (PubChem CID 44530615) has the molecular formula C26H18F3N3O2 and a molecular weight of 461.44 g/mol. Its IUPAC name is 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide
PubChem CID44530615
Molecular FormulaC26H18F3N3O2
Molecular Weight461.44 g/mol
Exact Mass461.14
IUPAC Name3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C26H18F3N3O2/c1-15-10-11-34-23(15)25(33)30-20-7-3-5-17(13-20)16-4-2-6-18(12-16)24-31-21-9-8-19(26(27,28)29)14-22(21)32-24/h2-14H,1H3,(H,30,33)(H,31,32)
InChIKeyJUQNUGHGJPAMTF-UHFFFAOYSA-N
XLogP7.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide (CID 44530615) is 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide?
The InChIKey is JUQNUGHGJPAMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O2/c1-15-10-11-34-23(15)25(33)30-20-7-3-5-17(13-20)16-4-2-6-18(12-16)24-31-21-9-8-19(26(27,28)29)14-22(21)32-24/h2-14H,1H3,(H,30,33)(H,31,32).
What are the key properties of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide?
3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 7.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 44530615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).