1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one

C11H12Cl2N2O — CID 21394005

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H12Cl2N2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyLFYGZRWJGWLHMW-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.86
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one

1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 21394005) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID21394005
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H12Cl2N2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyLFYGZRWJGWLHMW-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
(3,4-Dichloro-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 15113313
3-[(3,4-Dichlorophenyl)methyl]-2,4,5-trioxo-1-imidazolidineacetic acid
CID 3843961
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 398578
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 398588
N'-[(3,4-dichlorophenyl)methyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 11725919
(S)-N-(3,4-dichlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418542
N-(3,4-dichlorobenzyl)-4-cyclopentylpiperazine-1-carboxamide
CID 44418575
1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45267261
1,3-Bis[(3,4-dichlorophenyl)methyl]-2-phenylimidazolidine
CID 11511032

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one (CID 21394005) is 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is LFYGZRWJGWLHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 259.14 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 21394005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).