[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H18N2O5 — CID 66561353

IUPAC[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3coc4ccccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H18N2O5/c1-25-17-8-12(9-18(26-2)20(17)27-3)19(24)15-10-22-21(23-15)14-11-28-16-7-5-4-6-13(14)16/h4-11H,1-3H3,(H,22,23)
InChIKeyLPRWOJPWYGARRC-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.08
Rot. Bonds6

About [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 66561353) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID66561353
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(-c3coc4ccccc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H18N2O5/c1-25-17-8-12(9-18(26-2)20(17)27-3)19(24)15-10-22-21(23-15)14-11-28-16-7-5-4-6-13(14)16/h4-11H,1-3H3,(H,22,23)
InChIKeyLPRWOJPWYGARRC-UHFFFAOYSA-N
XLogP4.08
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175964433
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 176847170
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
(2-deuterio-3,4,5-trimethoxyphenyl)-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 176847172
(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 69038939
[2-(4-nitrophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039473
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
4-(1-benzofuran-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 171354201
[2-[[(4E,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]amino]-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 130311131
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
(5-hydroxybenzo[g][1]benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 66645277

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 66561353) is [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(-c3coc4ccccc34)[nH]2)cc(OC)c1OC.
What is the InChIKey of [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LPRWOJPWYGARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-25-17-8-12(9-18(26-2)20(17)27-3)19(24)15-10-22-21(23-15)14-11-28-16-7-5-4-6-13(14)16/h4-11H,1-3H3,(H,22,23).
What are the key properties of [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 378.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 66561353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).