N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

C15H24Cl2N4O2 — CID 119834602

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCCCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-21-10-8-16-11-15(20)17-7-4-9-19-12-18-13-5-2-3-6-14(13)19;;/h2-3,5-6,12,16H,4,7-11H2,1H3,(H,17,20);2*1H
InChIKeyNXNOFLQAKBGHNF-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.62
Rot. Bonds9

About N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119834602) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119834602
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCCCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-21-10-8-16-11-15(20)17-7-4-9-19-12-18-13-5-2-3-6-14(13)19;;/h2-3,5-6,12,16H,4,7-11H2,1H3,(H,17,20);2*1H
InChIKeyNXNOFLQAKBGHNF-UHFFFAOYSA-N
XLogP1.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.62
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

3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
CID 120594808
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 22108871

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119834602) is N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)NCCCn1cnc2ccccc21.Cl.Cl.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is NXNOFLQAKBGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c1-21-10-8-16-11-15(20)17-7-4-9-19-12-18-13-5-2-3-6-14(13)19;;/h2-3,5-6,12,16H,4,7-11H2,1H3,(H,17,20);2*1H.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119834602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).