1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride

C19H21Cl3N2O — CID 142664973

IUPAC1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride
SMILESCCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2ccccc2)C(=O)N1C.Cl
InChIInChI=1S/C19H20Cl2N2O.ClH/c1-3-19(15-9-10-16(20)17(21)11-15)13-23(18(24)22(19)2)12-14-7-5-4-6-8-14;/h4-11H,3,12-13H2,1-2H3;1H
InChIKeyCFEMZIWBZIEGJW-UHFFFAOYSA-N
MW399.75 g/mol
LogP5.59
Rot. Bonds4

About 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride

1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride (PubChem CID 142664973) has the molecular formula C19H21Cl3N2O and a molecular weight of 399.75 g/mol. Its IUPAC name is 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride
PubChem CID142664973
Molecular FormulaC19H21Cl3N2O
Molecular Weight399.75 g/mol
Exact Mass398.07
IUPAC Name1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride
SMILESCCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2ccccc2)C(=O)N1C.Cl
InChIInChI=1S/C19H20Cl2N2O.ClH/c1-3-19(15-9-10-16(20)17(21)11-15)13-23(18(24)22(19)2)12-14-7-5-4-6-8-14;/h4-11H,3,12-13H2,1-2H3;1H
InChIKeyCFEMZIWBZIEGJW-UHFFFAOYSA-N
XLogP5.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.75
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one
CID 21200634
3-(3,4-dichlorophenyl)-1-methyl-3-phenylmethoxyazetidine
CID 71728115
2-[4-benzyl-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl methanesulfonate
CID 19591389
(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
CID 101455407
4-benzyl-6-(3,4-dichlorophenyl)-6-ethyl-2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]morpholin-3-one;hydrate;hydrochloride
CID 67565293
4-benzyl-2-(3,4-dichlorophenyl)-2-prop-2-enylmorpholin-3-one
CID 102495292
1,4-dibenzyl-6-ethyl-6-phenyl-1,4-diazepane-5,7-dione
CID 11971389
1-benzyl-4-ethyl-4-methylpyrrolidin-3-one
CID 71175395
1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54112515
3-benzyl-5-(3,4-dichlorophenyl)-5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-oxazinan-2-one;hydrate;hydrochloride
CID 70181106
N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 19692485
3-benzyl-5-(3,4-dichlorophenyl)-5-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]propyl]-1,3-oxazinan-2-one
CID 69120718

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride?
The IUPAC name of 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride (CID 142664973) is 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride is CCC1(c2ccc(Cl)c(Cl)c2)CN(Cc2ccccc2)C(=O)N1C.Cl.
What is the InChIKey of 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride?
The InChIKey is CFEMZIWBZIEGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O.ClH/c1-3-19(15-9-10-16(20)17(21)11-15)13-23(18(24)22(19)2)12-14-7-5-4-6-8-14;/h4-11H,3,12-13H2,1-2H3;1H.
What are the key properties of 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride?
1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride has a molecular weight of 399.75 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3,4-dichlorophenyl)-4-ethyl-3-methylimidazolidin-2-one;hydrochloride is sourced from PubChem (CID 142664973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).