1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one

C19H20ClN3O2 — CID 3213394

IUPAC1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one
SMILESCCCCOc1ccc(N2C(=O)CN=C2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-2-3-12-25-17-10-8-16(9-11-17)23-18(24)13-21-19(23)22-15-6-4-14(20)5-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyQLEXVOZZOHNORL-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.33
Rot. Bonds6

About 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one

1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one (PubChem CID 3213394) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one
PubChem CID3213394
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one
SMILESCCCCOc1ccc(N2C(=O)CN=C2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-2-3-12-25-17-10-8-16(9-11-17)23-18(24)13-21-19(23)22-15-6-4-14(20)5-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyQLEXVOZZOHNORL-UHFFFAOYSA-N
XLogP4.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one?
The IUPAC name of 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one (CID 3213394) is 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one is CCCCOc1ccc(N2C(=O)CN=C2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one?
The InChIKey is QLEXVOZZOHNORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-2-3-12-25-17-10-8-16(9-11-17)23-18(24)13-21-19(23)22-15-6-4-14(20)5-7-15/h4-11H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one?
1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one has a molecular weight of 357.84 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one is sourced from PubChem (CID 3213394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).