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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Related Compounds

3-(4-(2-Butyl-1-(4-(4-chlorophenoxy)phenyl)-1H-imidazol-4-yl)phenoxy)-N,N-diethyl-1-propanamine
CID 11180124
Croconazole
CID 2880
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine
CID 9840856
N-(4-ethoxybenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 1090103
(3-Methoxy-benzyl)-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096451
3-Chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 1104473

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).