N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

C20H23N3O2 — CID 47030521

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCOc1cc(CNC(c2ccccc2)c2nccn2C)cc(OC)c1
InChIInChI=1S/C20H23N3O2/c1-23-10-9-21-20(23)19(16-7-5-4-6-8-16)22-14-15-11-17(24-2)13-18(12-15)25-3/h4-13,19,22H,14H2,1-3H3
InChIKeyXWKJYSKIGAZTMU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.32
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (PubChem CID 47030521) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
PubChem CID47030521
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCOc1cc(CNC(c2ccccc2)c2nccn2C)cc(OC)c1
InChIInChI=1S/C20H23N3O2/c1-23-10-9-21-20(23)19(16-7-5-4-6-8-16)22-14-15-11-17(24-2)13-18(12-15)25-3/h4-13,19,22H,14H2,1-3H3
InChIKeyXWKJYSKIGAZTMU-UHFFFAOYSA-N
XLogP3.32
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (CID 47030521) is N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is COc1cc(CNC(c2ccccc2)c2nccn2C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is XWKJYSKIGAZTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-10-9-21-20(23)19(16-7-5-4-6-8-16)22-14-15-11-17(24-2)13-18(12-15)25-3/h4-13,19,22H,14H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 337.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 47030521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).