methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate

C20H21N3O2 — CID 11809821

IUPACmethyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate
SMILESCO/C=N/c1c(Cc2ccc(OC)cc2)ncn1Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-24-15-22-20-19(12-16-8-10-18(25-2)11-9-16)21-14-23(20)13-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/b22-15+
InChIKeyCPHIRVDVIKNFTB-PXLXIMEGSA-N
MW335.41 g/mol
LogP3.84
Rot. Bonds7

About methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate

methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate (PubChem CID 11809821) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate.

Molecular Properties

Compound Namemethyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate
PubChem CID11809821
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Namemethyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate
SMILESCO/C=N/c1c(Cc2ccc(OC)cc2)ncn1Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-24-15-22-20-19(12-16-8-10-18(25-2)11-9-16)21-14-23(20)13-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/b22-15+
InChIKeyCPHIRVDVIKNFTB-PXLXIMEGSA-N
XLogP3.84
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate 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

3-benzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 141167246
1-benzyl-5-methoxybenzimidazole
CID 10900689
6-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purine;bromozinc(1+);2,6-dichloro-9-[(4-methoxyphenyl)methyl]purine;methanidylbenzene
CID 161311648
4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
3-benzyl-7-[(4-methoxyphenyl)methyl]-1-prop-2-enylpurine-2,6-dione
CID 11235036
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
potassium 1-benzyl-7-[(4-methoxyphenyl)methyl]purin-3-ide-2,6-dione
CID 11338548
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
1-benzyl-4-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 68654467
6-benzyl-4-[(E)-(4-methoxyphenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 10784178

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate?
The IUPAC name of methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate (CID 11809821) is methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate.
What is the SMILES notation for methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate?
The canonical SMILES for methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate is CO/C=N/c1c(Cc2ccc(OC)cc2)ncn1Cc1ccccc1.
What is the InChIKey of methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate?
The InChIKey is CPHIRVDVIKNFTB-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-15-22-20-19(12-16-8-10-18(25-2)11-9-16)21-14-23(20)13-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3/b22-15+.
What are the key properties of methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate?
methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate has a molecular weight of 335.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-N-[3-benzyl-5-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanimidate is sourced from PubChem (CID 11809821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).