N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide

C22H32ClN5O4 — CID 91136765

IUPACN-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide
SMILESCCCCN(CCC)CCCNC(=O)c1cc(Cl)ccc1NC(=O)Cc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C22H32ClN5O4/c1-3-5-11-28(10-4-2)12-6-9-24-20(30)16-13-15(23)7-8-17(16)25-19(29)14-18-21(31)27-22(32)26-18/h7-8,13,31H,3-6,9-12,14H2,1-2H3,(H,24,30)(H,25,29)(H2,26,27,32)
InChIKeyRGZDUBHDIAQTMQ-UHFFFAOYSA-N
MW465.98 g/mol
LogP2.88
Rot. Bonds13

About N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide

N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide (PubChem CID 91136765) has the molecular formula C22H32ClN5O4 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide
PubChem CID91136765
Molecular FormulaC22H32ClN5O4
Molecular Weight465.98 g/mol
Exact Mass465.21
IUPAC NameN-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide
SMILESCCCCN(CCC)CCCNC(=O)c1cc(Cl)ccc1NC(=O)Cc1[nH]c(=O)[nH]c1O
InChIInChI=1S/C22H32ClN5O4/c1-3-5-11-28(10-4-2)12-6-9-24-20(30)16-13-15(23)7-8-17(16)25-19(29)14-18-21(31)27-22(32)26-18/h7-8,13,31H,3-6,9-12,14H2,1-2H3,(H,24,30)(H,25,29)(H2,26,27,32)
InChIKeyRGZDUBHDIAQTMQ-UHFFFAOYSA-N
XLogP2.88
TPSA130.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-[3-(dibutylamino)propylcarbamoyl]phenyl]-1H-indazole-3-carboxamide
CID 10254735
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271
5-chloro-N-[3-(diethylamino)propyl]-2-(methylamino)benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 22071680
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2,4-dichloro-N-nonylbenzamide
CID 3596264

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide (CID 91136765) is N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide is CCCCN(CCC)CCCNC(=O)c1cc(Cl)ccc1NC(=O)Cc1[nH]c(=O)[nH]c1O.
What is the InChIKey of N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide?
The InChIKey is RGZDUBHDIAQTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN5O4/c1-3-5-11-28(10-4-2)12-6-9-24-20(30)16-13-15(23)7-8-17(16)25-19(29)14-18-21(31)27-22(32)26-18/h7-8,13,31H,3-6,9-12,14H2,1-2H3,(H,24,30)(H,25,29)(H2,26,27,32).
What are the key properties of N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide?
N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide has a molecular weight of 465.98 g/mol, XLogP of 2.88, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(propyl)amino]propyl]-5-chloro-2-[[2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 91136765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).