2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride

C19H22ClN3O2 — CID 6602689

IUPAC2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride
SMILESCOc1ccc(CN2C(=O)CN=C2Nc2cc(C)ccc2C)cc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-13-4-5-14(2)17(10-13)21-19-20-11-18(23)22(19)12-15-6-8-16(24-3)9-7-15;/h4-10H,11-12H2,1-3H3,(H,20,21);1H
InChIKeyVXCIKAFQWJECOU-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride

2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride (PubChem CID 6602689) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride
PubChem CID6602689
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride
SMILESCOc1ccc(CN2C(=O)CN=C2Nc2cc(C)ccc2C)cc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-13-4-5-14(2)17(10-13)21-19-20-11-18(23)22(19)12-15-6-8-16(24-3)9-7-15;/h4-10H,11-12H2,1-3H3,(H,20,21);1H
InChIKeyVXCIKAFQWJECOU-UHFFFAOYSA-N
XLogP3.54
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride?
The IUPAC name of 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride (CID 6602689) is 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride?
The canonical SMILES for 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride is COc1ccc(CN2C(=O)CN=C2Nc2cc(C)ccc2C)cc1.Cl.
What is the InChIKey of 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride?
The InChIKey is VXCIKAFQWJECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-13-4-5-14(2)17(10-13)21-19-20-11-18(23)22(19)12-15-6-8-16(24-3)9-7-15;/h4-10H,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride?
2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-1-[(4-methoxyphenyl)methyl]-4H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 6602689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).