2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one

C16H22ClN3O — CID 83248992

IUPAC2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(Cl)cc2)N(CCN(C)C2CC2)C1=O
InChIInChI=1S/C16H22ClN3O/c1-11-16(21)20(10-9-19(2)14-7-8-14)15(18-11)12-3-5-13(17)6-4-12/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyRCKSEYAYUFWZFU-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one

2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one (PubChem CID 83248992) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
PubChem CID83248992
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(Cl)cc2)N(CCN(C)C2CC2)C1=O
InChIInChI=1S/C16H22ClN3O/c1-11-16(21)20(10-9-19(2)14-7-8-14)15(18-11)12-3-5-13(17)6-4-12/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyRCKSEYAYUFWZFU-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
CID 83236742
3-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83250403
2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250579
3-[2-[ethyl(methyl)amino]ethyl]-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83255113
2-(4-chlorophenyl)-3-cyclobutyl-5-methylimidazolidin-4-one
CID 83254897
2-(3,4-difluorophenyl)-3-[2-[ethyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
CID 83253778
2-(4-chlorophenyl)-5-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266975
3-[4-(dimethylamino)butyl]-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83246415
3-[2-(diethylamino)ethyl]-5-methyl-2-phenylimidazolidin-4-one
CID 83240103
2-(4-chlorophenyl)-5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83256838
3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
CID 83259017

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one (CID 83248992) is 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one is CC1NC(c2ccc(Cl)cc2)N(CCN(C)C2CC2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one?
The InChIKey is RCKSEYAYUFWZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-11-16(21)20(10-9-19(2)14-7-8-14)15(18-11)12-3-5-13(17)6-4-12/h3-6,11,14-15,18H,7-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one?
2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one has a molecular weight of 307.82 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 83248992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).