4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C23H27ClN4O3 — CID 17030905

IUPAC4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCCNC(=O)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H27ClN4O3/c1-2-31-15-5-13-25-22(29)16-28-20-7-4-3-6-19(20)27-21(28)12-14-26-23(30)17-8-10-18(24)11-9-17/h3-4,6-11H,2,5,12-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyVNSKUOFYFOZANR-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.20
Rot. Bonds11

About 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17030905) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17030905
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCOCCCNC(=O)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H27ClN4O3/c1-2-31-15-5-13-25-22(29)16-28-20-7-4-3-6-19(20)27-21(28)12-14-26-23(30)17-8-10-18(24)11-9-17/h3-4,6-11H,2,5,12-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyVNSKUOFYFOZANR-UHFFFAOYSA-N
XLogP3.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031542
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031635
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17030906
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
propan-2-yl 2-[2-[2-[(4-chlorobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16977270
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17030905) is 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CCOCCCNC(=O)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is VNSKUOFYFOZANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-2-31-15-5-13-25-22(29)16-28-20-7-4-3-6-19(20)27-21(28)12-14-26-23(30)17-8-10-18(24)11-9-17/h3-4,6-11H,2,5,12-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 442.95 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17030905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).