2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one

C19H17Cl2N3O — CID 59262464

IUPAC2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23)
InChIKeyJOMOYZHFIMBZBT-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.05
Rot. Bonds3

About 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one

2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one (PubChem CID 59262464) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one
PubChem CID59262464
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CC2)N=C1N
InChIInChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23)
InChIKeyJOMOYZHFIMBZBT-UHFFFAOYSA-N
XLogP4.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-[3-(3-chlorophenyl)phenyl]-3,5-dimethylimidazol-4-one
CID 11738522
2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16050931
2-amino-4-(3-chlorophenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 45488113
2-Amino-5-(2-cyclohexylethyl)-3-methyl-5-phenylimidazol-4-one
CID 57843806
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one
CID 59262361
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one
CID 59262444
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-ethyl-3-methylimidazol-4-one
CID 59262465
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59262540
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-propan-2-ylimidazol-4-one
CID 59262564
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclohexyl-3-methylimidazol-4-one
CID 59387534
2-Amino-5-[3-(3-chlorophenyl)phenyl]-5-(cyclopropylmethyl)-3-methylimidazol-4-one
CID 59387607
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1-methylcyclopropyl)imidazol-4-one
CID 59388490

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one (CID 59262464) is 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is JOMOYZHFIMBZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-24-17(25)19(13-5-6-13,23-18(24)22)14-4-2-3-11(7-14)12-8-15(20)10-16(21)9-12/h2-4,7-10,13H,5-6H2,1H3,(H2,22,23).
What are the key properties of 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one?
2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 374.27 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-5-[3-(3,5-dichlorophenyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 59262464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).