1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole

C19H22N2O — CID 174611565

IUPAC1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole
SMILESCOc1cccc(CN2CN(Cc3ccccc3)C=C2C)c1
InChIInChI=1S/C19H22N2O/c1-16-12-20(13-17-7-4-3-5-8-17)15-21(16)14-18-9-6-10-19(11-18)22-2/h3-12H,13-15H2,1-2H3
InChIKeyJHPXTJHIUZCWEX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.83
Rot. Bonds5

About 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole

1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole (PubChem CID 174611565) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole
PubChem CID174611565
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole
SMILESCOc1cccc(CN2CN(Cc3ccccc3)C=C2C)c1
InChIInChI=1S/C19H22N2O/c1-16-12-20(13-17-7-4-3-5-8-17)15-21(16)14-18-9-6-10-19(11-18)22-2/h3-12H,13-15H2,1-2H3
InChIKeyJHPXTJHIUZCWEX-UHFFFAOYSA-N
XLogP3.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894
1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 54748179
[4-amino-1-[(3-methoxyphenyl)methyl]-2,3-dihydropyrrol-5-yl]-phenylmethanone
CID 70465473
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
CID 10063941
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
(3-methoxyphenyl)(113C)methanol
CID 11593446
1-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100409

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole?
The IUPAC name of 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole (CID 174611565) is 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole?
The canonical SMILES for 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole is COc1cccc(CN2CN(Cc3ccccc3)C=C2C)c1.
What is the InChIKey of 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole?
The InChIKey is JHPXTJHIUZCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-16-12-20(13-17-7-4-3-5-8-17)15-21(16)14-18-9-6-10-19(11-18)22-2/h3-12H,13-15H2,1-2H3.
What are the key properties of 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole?
1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole has a molecular weight of 294.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole is sourced from PubChem (CID 174611565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).