5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine

C19H20ClN3O2 — CID 3356531

IUPAC5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(OC)c(CNc2ncc(-c3cccc(Cl)c3)n2C)c1
InChIInChI=1S/C19H20ClN3O2/c1-23-17(13-5-4-6-15(20)9-13)12-22-19(23)21-11-14-10-16(24-2)7-8-18(14)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyOREBUXYTWWFVFG-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.37
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine

5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 3356531) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
PubChem CID3356531
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
SMILESCOc1ccc(OC)c(CNc2ncc(-c3cccc(Cl)c3)n2C)c1
InChIInChI=1S/C19H20ClN3O2/c1-23-17(13-5-4-6-15(20)9-13)12-22-19(23)21-11-14-10-16(24-2)7-8-18(14)25-3/h4-10,12H,11H2,1-3H3,(H,21,22)
InChIKeyOREBUXYTWWFVFG-UHFFFAOYSA-N
XLogP4.37
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine (CID 3356531) is 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine is COc1ccc(OC)c(CNc2ncc(-c3cccc(Cl)c3)n2C)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is OREBUXYTWWFVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-23-17(13-5-4-6-15(20)9-13)12-22-19(23)21-11-14-10-16(24-2)7-8-18(14)25-3/h4-10,12H,11H2,1-3H3,(H,21,22).
What are the key properties of 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine?
5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 357.84 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 3356531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).