N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine

C19H20ClN3O — CID 5180823

IUPACN-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
SMILESCCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1
InChIInChI=1S/C19H20ClN3O/c1-3-24-17-9-7-15(8-10-17)18-13-22-19(23(18)2)21-12-14-5-4-6-16(20)11-14/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyUWYJQBYGVLNZPM-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.75
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine

N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 5180823) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
PubChem CID5180823
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine
SMILESCCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1
InChIInChI=1S/C19H20ClN3O/c1-3-24-17-9-7-15(8-10-17)18-13-22-19(23(18)2)21-12-14-5-4-6-16(20)11-14/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeyUWYJQBYGVLNZPM-UHFFFAOYSA-N
XLogP4.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine (CID 5180823) is N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine is CCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2C)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is UWYJQBYGVLNZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-24-17-9-7-15(8-10-17)18-13-22-19(23(18)2)21-12-14-5-4-6-16(20)11-14/h4-11,13H,3,12H2,1-2H3,(H,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine?
N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 341.84 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 5180823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).