N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide

C21H21Cl2N5O3 — CID 22108871

IUPACN-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCCn1cnc2ccccc21
InChIInChI=1S/C21H21Cl2N5O3/c22-14-6-7-15(16(23)10-14)21(31)26-12-20(30)25-11-19(29)24-8-3-9-28-13-27-17-4-1-2-5-18(17)28/h1-2,4-7,10,13H,3,8-9,11-12H2,(H,24,29)(H,25,30)(H,26,31)
InChIKeyPUUXAYCVHRJCME-UHFFFAOYSA-N
MW462.34 g/mol
LogP2.40
Rot. Bonds9

About N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide

N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide (PubChem CID 22108871) has the molecular formula C21H21Cl2N5O3 and a molecular weight of 462.34 g/mol. Its IUPAC name is N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
PubChem CID22108871
Molecular FormulaC21H21Cl2N5O3
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC NameN-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCCn1cnc2ccccc21
InChIInChI=1S/C21H21Cl2N5O3/c22-14-6-7-15(16(23)10-14)21(31)26-12-20(30)25-11-19(29)24-8-3-9-28-13-27-17-4-1-2-5-18(17)28/h1-2,4-7,10,13H,3,8-9,11-12H2,(H,24,29)(H,25,30)(H,26,31)
InChIKeyPUUXAYCVHRJCME-UHFFFAOYSA-N
XLogP2.40
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
2,4-dichloro-N-[2-[[2-(2-naphthalen-2-yloxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 26976720
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51221928

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide (CID 22108871) is N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide is O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The InChIKey is PUUXAYCVHRJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3/c22-14-6-7-15(16(23)10-14)21(31)26-12-20(30)25-11-19(29)24-8-3-9-28-13-27-17-4-1-2-5-18(17)28/h1-2,4-7,10,13H,3,8-9,11-12H2,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide has a molecular weight of 462.34 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 22108871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).