5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine

C20H23N3O2 — CID 12038807

IUPAC5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine
SMILESCOc1ccc(-c2cnc(NC(C)c3ccccc3)n2C)cc1OC
InChIInChI=1S/C20H23N3O2/c1-14(15-8-6-5-7-9-15)22-20-21-13-17(23(20)2)16-10-11-18(24-3)19(12-16)25-4/h5-14H,1-4H3,(H,21,22)
InChIKeyVQGZEEAMLOOAHR-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.28
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine

5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine (PubChem CID 12038807) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine
PubChem CID12038807
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine
SMILESCOc1ccc(-c2cnc(NC(C)c3ccccc3)n2C)cc1OC
InChIInChI=1S/C20H23N3O2/c1-14(15-8-6-5-7-9-15)22-20-21-13-17(23(20)2)16-10-11-18(24-3)19(12-16)25-4/h5-14H,1-4H3,(H,21,22)
InChIKeyVQGZEEAMLOOAHR-UHFFFAOYSA-N
XLogP4.28
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine (CID 12038807) is 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine is COc1ccc(-c2cnc(NC(C)c3ccccc3)n2C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine?
The InChIKey is VQGZEEAMLOOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(15-8-6-5-7-9-15)22-20-21-13-17(23(20)2)16-10-11-18(24-3)19(12-16)25-4/h5-14H,1-4H3,(H,21,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine?
5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine has a molecular weight of 337.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-methyl-N-(1-phenylethyl)imidazol-2-amine is sourced from PubChem (CID 12038807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).