3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole

C22H19N5O — CID 50948731

IUPAC3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
SMILESCC(c1nncn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1
InChIInChI=1S/C22H19N5O/c1-15(22-25-24-14-26(22)2)27-13-23-20(16-8-4-3-5-9-16)21(27)19-12-17-10-6-7-11-18(17)28-19/h3-15H,1-2H3
InChIKeyQRHSGFMNPJBROD-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.70
Rot. Bonds4

About 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole

3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole (PubChem CID 50948731) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
PubChem CID50948731
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
SMILESCC(c1nncn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1
InChIInChI=1S/C22H19N5O/c1-15(22-25-24-14-26(22)2)27-13-23-20(16-8-4-3-5-9-16)21(27)19-12-17-10-6-7-11-18(17)28-19/h3-15H,1-2H3
InChIKeyQRHSGFMNPJBROD-UHFFFAOYSA-N
XLogP4.70
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 50962744
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95199657
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54896039
5-(1-benzofuran-2-yl)-1-methyltetrazole
CID 57215043
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
3-(1-benzofuran-2-yl)-6-[(1S)-1-phenoxyethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 97465939
N-(1-benzofuran-2-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55201328
4-phenyl-1,5-di(propan-2-yl)imidazole
CID 167225252
(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 94871645
4-[(1S,2R)-2-[2-(1-benzofuran-2-yl)imidazol-1-yl]-1-hydroxypropyl]phenol
CID 70732332

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole (CID 50948731) is 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole is CC(c1nncn1C)n1cnc(-c2ccccc2)c1-c1cc2ccccc2o1.
What is the InChIKey of 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
The InChIKey is QRHSGFMNPJBROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15(22-25-24-14-26(22)2)27-13-23-20(16-8-4-3-5-9-16)21(27)19-12-17-10-6-7-11-18(17)28-19/h3-15H,1-2H3.
What are the key properties of 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole has a molecular weight of 369.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 50948731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).