2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

C20H15F3N6O — CID 121290314

IUPAC2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
SMILESFC(F)(F)c1n[nH]nc1-c1ccnc(-c2cn(C[C@H]3COc4ccccc43)cn2)c1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)19-18(26-28-27-19)12-5-6-24-15(7-12)16-9-29(11-25-16)8-13-10-30-17-4-2-1-3-14(13)17/h1-7,9,11,13H,8,10H2,(H,26,27,28)/t13-/m0/s1
InChIKeyUCJPOZQNMHBIGD-ZDUSSCGKSA-N
MW412.38 g/mol
LogP3.93
Rot. Bonds4

About 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine

2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (PubChem CID 121290314) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
PubChem CID121290314
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
SMILESFC(F)(F)c1n[nH]nc1-c1ccnc(-c2cn(C[C@H]3COc4ccccc43)cn2)c1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)19-18(26-28-27-19)12-5-6-24-15(7-12)16-9-29(11-25-16)8-13-10-30-17-4-2-1-3-14(13)17/h1-7,9,11,13H,8,10H2,(H,26,27,28)/t13-/m0/s1
InChIKeyUCJPOZQNMHBIGD-ZDUSSCGKSA-N
XLogP3.93
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[(3R)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290266
2-[1-[[(3S)-7-cyclopropyl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290341
2-[1-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290276
2-[1-[[(4R)-5-chloro-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290330
2-[1-[[(3S)-6-fluoro-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288427
2-(1-benzylimidazol-4-yl)-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121454336
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288455
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288454
2-[1-[[(1S)-5-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971867
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-4-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288456
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288452
2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971648

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine (CID 121290314) is 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is FC(F)(F)c1n[nH]nc1-c1ccnc(-c2cn(C[C@H]3COc4ccccc43)cn2)c1.
What is the InChIKey of 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
The InChIKey is UCJPOZQNMHBIGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H15F3N6O/c21-20(22,23)19-18(26-28-27-19)12-5-6-24-15(7-12)16-9-29(11-25-16)8-13-10-30-17-4-2-1-3-14(13)17/h1-7,9,11,13H,8,10H2,(H,26,27,28)/t13-/m0/s1.
What are the key properties of 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine?
2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine has a molecular weight of 412.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine is sourced from PubChem (CID 121290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).