1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea

C20H23Cl2N3O — CID 53235496

IUPAC1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea
SMILESCC1(NC(=O)NCc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23Cl2N3O/c1-20(9-10-25(14-20)13-15-5-3-2-4-6-15)24-19(26)23-12-16-7-8-17(21)18(22)11-16/h2-8,11H,9-10,12-14H2,1H3,(H2,23,24,26)
InChIKeyXMUYPKGWQATKMW-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.46
Rot. Bonds5

About 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea

1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea (PubChem CID 53235496) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea
PubChem CID53235496
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea
SMILESCC1(NC(=O)NCc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H23Cl2N3O/c1-20(9-10-25(14-20)13-15-5-3-2-4-6-15)24-19(26)23-12-16-7-8-17(21)18(22)11-16/h2-8,11H,9-10,12-14H2,1H3,(H2,23,24,26)
InChIKeyXMUYPKGWQATKMW-UHFFFAOYSA-N
XLogP4.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
Gsk2850163
CID 73291790
(S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11573849
3-(1-(4-Chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125568
N-cyclohexyl-4-((3,4-dichlorophenyl)(phenyl)methyl)piperazine-1-carboxamide
CID 44177474
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576
1-[(2-Chlorophenyl)methyl]-3-[1-(2,3-dichlorophenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 60165265
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1-imidazolidinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550157
N-[1-(3,4-dichlorobenzyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 11202371
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125567
(S)-N-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418512

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea?
The IUPAC name of 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea (CID 53235496) is 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea.
What is the SMILES notation for 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea?
The canonical SMILES for 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea is CC1(NC(=O)NCc2ccc(Cl)c(Cl)c2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea?
The InChIKey is XMUYPKGWQATKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-20(9-10-25(14-20)13-15-5-3-2-4-6-15)24-19(26)23-12-16-7-8-17(21)18(22)11-16/h2-8,11H,9-10,12-14H2,1H3,(H2,23,24,26).
What are the key properties of 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea?
1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea has a molecular weight of 392.33 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]urea is sourced from PubChem (CID 53235496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).