1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole

C21H20N2O2 — CID 54418120

IUPAC1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole
SMILESCn1ccnc1C=Cc1cc2c(cc1OCc1ccccc1)CCO2
InChIInChI=1S/C21H20N2O2/c1-23-11-10-22-21(23)8-7-17-13-19-18(9-12-24-19)14-20(17)25-15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3
InChIKeyVYWONJDEPZUKDZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.10
Rot. Bonds5

About 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole

1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole (PubChem CID 54418120) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole
PubChem CID54418120
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole
SMILESCn1ccnc1C=Cc1cc2c(cc1OCc1ccccc1)CCO2
InChIInChI=1S/C21H20N2O2/c1-23-11-10-22-21(23)8-7-17-13-19-18(9-12-24-19)14-20(17)25-15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3
InChIKeyVYWONJDEPZUKDZ-UHFFFAOYSA-N
XLogP4.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Imidazol-1-ylmethyl-2-(4-methoxy-phenoxy)-benzonitrile
CID 21697040
1-[5-(2,5-dimethylphenoxy)pentyl]-1H-imidazole
CID 4993461
1-[2-(2,5-dimethylphenoxy)ethyl]-1H-imidazole
CID 867224
1-[2-(2,3,5-trimethylphenoxy)ethyl]-1H-imidazole
CID 867257
1-[4-(2-biphenylyloxy)butyl]-1H-imidazole
CID 4998739
1-{3-[4-(benzyloxy)phenoxy]propyl}-1H-imidazole
CID 3837783
1-(6-Methoxy-2H-1-benzopyran-3-yl)-1H-imidazole
CID 13284885
1-[3-(2,3,5-trimethylphenoxy)propyl]-1H-imidazole
CID 2843843
1-[4-(2,5-dimethylphenoxy)butyl]-1H-imidazole
CID 2846887
1H-Imidazole, 1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CID 803224
(5R)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344360
(5S)-3-imidazol-1-yl-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344404

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
The IUPAC name of 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole (CID 54418120) is 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole.
What is the SMILES notation for 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
The canonical SMILES for 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole is Cn1ccnc1C=Cc1cc2c(cc1OCc1ccccc1)CCO2.
What is the InChIKey of 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
The InChIKey is VYWONJDEPZUKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-23-11-10-22-21(23)8-7-17-13-19-18(9-12-24-19)14-20(17)25-15-16-5-3-2-4-6-16/h2-8,10-11,13-14H,9,12,15H2,1H3.
What are the key properties of 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole?
1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole has a molecular weight of 332.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)ethenyl]imidazole is sourced from PubChem (CID 54418120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).