3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one

C16H22ClN3O — CID 135974496

IUPAC3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
SMILESC/N=C1\NC(C)(CC(C)C)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-11(2)9-16(3)14(21)20(15(18-4)19-16)10-12-6-5-7-13(17)8-12/h5-8,11H,9-10H2,1-4H3,(H,18,19)
InChIKeyBAAAHOHMQWZHIP-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.06
Rot. Bonds4

About 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one

3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 135974496) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID135974496
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
SMILESC/N=C1\NC(C)(CC(C)C)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-11(2)9-16(3)14(21)20(15(18-4)19-16)10-12-6-5-7-13(17)8-12/h5-8,11H,9-10H2,1-4H3,(H,18,19)
InChIKeyBAAAHOHMQWZHIP-UHFFFAOYSA-N
XLogP3.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
CID 143064407
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
1-[(3-chlorophenyl)methyl]-5-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 46180019
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
3-[(3-chlorophenyl)methyl]-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 46641069
4-[1-[(3-chlorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 42964355
N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601226
N-benzyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138882
(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
CID 7480340

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one (CID 135974496) is 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one is C/N=C1\NC(C)(CC(C)C)C(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is BAAAHOHMQWZHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11(2)9-16(3)14(21)20(15(18-4)19-16)10-12-6-5-7-13(17)8-12/h5-8,11H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 307.83 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 135974496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).