N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide

C24H22F3N3O2 — CID 57243320

IUPACN-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCCCc1nccn1Cc1ccc2oc(-c3ccccc3NC(=O)C(F)(F)F)cc2c1
InChIInChI=1S/C24H22F3N3O2/c1-2-3-8-22-28-11-12-30(22)15-16-9-10-20-17(13-16)14-21(32-20)18-6-4-5-7-19(18)29-23(31)24(25,26)27/h4-7,9-14H,2-3,8,15H2,1H3,(H,29,31)
InChIKeyPVRULZARHOLVJW-UHFFFAOYSA-N
MW441.45 g/mol
LogP6.19
Rot. Bonds7

About N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide

N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 57243320) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID57243320
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCCCc1nccn1Cc1ccc2oc(-c3ccccc3NC(=O)C(F)(F)F)cc2c1
InChIInChI=1S/C24H22F3N3O2/c1-2-3-8-22-28-11-12-30(22)15-16-9-10-20-17(13-16)14-21(32-20)18-6-4-5-7-19(18)29-23(31)24(25,26)27/h4-7,9-14H,2-3,8,15H2,1H3,(H,29,31)
InChIKeyPVRULZARHOLVJW-UHFFFAOYSA-N
XLogP6.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Saprisartan
CID 60921
N-Ethyl-1-[[2-[2-[[(trifluoromethyl)sulfonyl]amino]phenyl]-3-bromobenzofuran-5-yl]methyl]-2-propyl-4-methyl-1H-imidazole-5-carboxamide
CID 9986449
1-[[2-[2-[[(Trifluoromethyl)sulfonyl]amino]phenyl]-3-bromobenzofuran-5-yl]methyl]-2,4-diethyl-1H-imidazole-5-carboxamide
CID 10008705
N-Ethyl-1-[[2-[2-[[(trifluoromethyl)sulfonyl]amino]phenyl]-3-bromobenzofuran-5-yl]methyl]-2-ethyl-4-cyclopropyl-1H-imidazole-5-carboxamide
CID 10032066
1-[[2-[2-[[(Trifluoromethyl)sulfonyl]amino]phenyl]-3-bromobenzofuran-5-yl]methyl]-2-propyl-4-methyl-1H-imidazole-5-carboxamide
CID 10054288
1-[[2-[2-[[(Trifluoromethyl)sulfonyl]amino]phenyl]-3-(trifluoromethyl)benzofuran-5-yl]methyl]-2-ethyl-4-cyclopropyl-1H-imidazole-5-carboxamide
CID 10371377
N-Methyl-1-[[2-[2-[[(trifluoromethyl)sulfonyl]amino]phenyl]-3-bromobenzofuran-5-yl]methyl]-2-propyl-4-methyl-1H-imidazole-5-carboxamide
CID 10416337
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3-methyl-3H-imidazol-4-yl)-pyridin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11248201
3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11260078
2-[5-(3-Benzyl-2-methyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-3-(2,3-dihydro-benzofuran-5-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11295833
3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-N-(2-methylpropyl)imidazole-4-carboxamide
CID 10258895
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-pyrazin-2-yl-amine
CID 11522882

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide (CID 57243320) is N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide is CCCCc1nccn1Cc1ccc2oc(-c3ccccc3NC(=O)C(F)(F)F)cc2c1.
What is the InChIKey of N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is PVRULZARHOLVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-2-3-8-22-28-11-12-30(22)15-16-9-10-20-17(13-16)14-21(32-20)18-6-4-5-7-19(18)29-23(31)24(25,26)27/h4-7,9-14H,2-3,8,15H2,1H3,(H,29,31).
What are the key properties of N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 441.45 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-butylimidazol-1-yl)methyl]-1-benzofuran-2-yl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57243320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).