N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide

C23H26Cl2N4O2 — CID 47084250

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(c1cccc(N2CCNC2=O)c1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H26Cl2N4O2/c24-20-7-6-17(14-21(20)25)16-28(13-12-27-9-1-2-10-27)22(30)18-4-3-5-19(15-18)29-11-8-26-23(29)31/h3-7,14-15H,1-2,8-13,16H2,(H,26,31)
InChIKeyUEBKJBUMNDOLOA-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.26
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide

N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 47084250) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID47084250
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(c1cccc(N2CCNC2=O)c1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H26Cl2N4O2/c24-20-7-6-17(14-21(20)25)16-28(13-12-27-9-1-2-10-27)22(30)18-4-3-5-19(15-18)29-11-8-26-23(29)31/h3-7,14-15H,1-2,8-13,16H2,(H,26,31)
InChIKeyUEBKJBUMNDOLOA-UHFFFAOYSA-N
XLogP4.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 138997006
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide
CID 60600929
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
CID 55787027
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 139000916
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 10337537
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
2-(3,4-dichlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489364
3-chloro-N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42725148

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 47084250) is N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(c1cccc(N2CCNC2=O)c1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is UEBKJBUMNDOLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c24-20-7-6-17(14-21(20)25)16-28(13-12-27-9-1-2-10-27)22(30)18-4-3-5-19(15-18)29-11-8-26-23(29)31/h3-7,14-15H,1-2,8-13,16H2,(H,26,31).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 461.39 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 47084250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).