1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one

C17H20Cl2N4O — CID 68708933

IUPAC1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCCN1CCCC1=O
InChIInChI=1S/C17H20Cl2N4O/c18-12-4-5-13(14(19)9-12)17-15(10-20)23(11-21-17)8-2-7-22-6-1-3-16(22)24/h4-5,9,11H,1-3,6-8,10,20H2
InChIKeyMCZHGJPILWGNAR-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.33
Rot. Bonds6

About 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one

1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one (PubChem CID 68708933) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
PubChem CID68708933
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCCN1CCCC1=O
InChIInChI=1S/C17H20Cl2N4O/c18-12-4-5-13(14(19)9-12)17-15(10-20)23(11-21-17)8-2-7-22-6-1-3-16(22)24/h4-5,9,11H,1-3,6-8,10,20H2
InChIKeyMCZHGJPILWGNAR-UHFFFAOYSA-N
XLogP3.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-1-methyl-imidazole-2-carboxamide
CID 9847217
N-(Cycloheptyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10116471
N-(Cyclohexyl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10204999
N-(Cyclopentyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10275599
N-(Cyclohexyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-ethylimidazole-2-carboxamide
CID 10277271
(3R,5S)-5-[4-(2-chlorophenyl)-1-methylimidazol-2-yl]-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44564588
methyl N-[(2S)-1-[(2S)-2-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 71580825
N-[(2-chloro-4-fluorophenyl)methyl]-2-[2-(2,4-difluorophenyl)-3,5-dimethylimidazol-4-yl]acetamide;hydrochloride
CID 56662910
1-[2-(3-chlorophenyl)ethyl]-4-{[(4-methyl-1H-imidazol-5-yl)methyl]amino}-2-pyrrolidinone
CID 45232489
1-[2-(3-chlorophenyl)ethyl]-4-{[(1,2-dimethyl-1H-imidazol-5-yl)methyl]amino}-2-pyrrolidinone
CID 45247824
methyl N-[(1S)-1-[(2R)-2-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 86573109
(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 28697383

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one (CID 68708933) is 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one is NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCCN1CCCC1=O.
What is the InChIKey of 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is MCZHGJPILWGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c18-12-4-5-13(14(19)9-12)17-15(10-20)23(11-21-17)8-2-7-22-6-1-3-16(22)24/h4-5,9,11H,1-3,6-8,10,20H2.
What are the key properties of 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one?
1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 367.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 68708933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).