1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride

C18H20ClN3O3 — CID 171668609

IUPAC1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
SMILESCCOc1ccc(N2C(=O)CN=C2Nc2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C18H19N3O3.ClH/c1-3-24-16-10-6-14(7-11-16)21-17(22)12-19-18(21)20-13-4-8-15(23-2)9-5-13;/h4-11H,3,12H2,1-2H3,(H,19,20);1H
InChIKeyIAOFGJXHNSINMH-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride

1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride (PubChem CID 171668609) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
PubChem CID171668609
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
SMILESCCOc1ccc(N2C(=O)CN=C2Nc2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C18H19N3O3.ClH/c1-3-24-16-10-6-14(7-11-16)21-17(22)12-19-18(21)20-13-4-8-15(23-2)9-5-13;/h4-11H,3,12H2,1-2H3,(H,19,20);1H
InChIKeyIAOFGJXHNSINMH-UHFFFAOYSA-N
XLogP3.33
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1454551
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CID 171668608
1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one
CID 3213394
1-(2,5-dimethylphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668602
2-(3-methoxyanilino)-1-phenyl-4H-imidazol-5-one
CID 1454517
1-(4-ethoxyphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593423
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
1-benzyl-2-(4-methoxyanilino)-4H-imidazol-5-one
CID 1454445
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588348
2-[4-[[4-chloro-1-(4-ethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(4-methoxyphenyl)acetamide
CID 1408535
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035487
4-[3-(4-ethoxyanilino)-4-(4-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110593770

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride (CID 171668609) is 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride is CCOc1ccc(N2C(=O)CN=C2Nc2ccc(OC)cc2)cc1.Cl.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
The InChIKey is IAOFGJXHNSINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.ClH/c1-3-24-16-10-6-14(7-11-16)21-17(22)12-19-18(21)20-13-4-8-15(23-2)9-5-13;/h4-11H,3,12H2,1-2H3,(H,19,20);1H.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride?
1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 171668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).