4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride

C15H24Cl2N4O2 — CID 120594808

IUPAC4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-21-12(10-16)9-15(20)17-7-4-8-19-11-18-13-5-2-3-6-14(13)19;;/h2-3,5-6,11-12H,4,7-10,16H2,1H3,(H,17,20);2*1H
InChIKeyXZFXSFYVDHNQAW-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.75
Rot. Bonds8

About 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride

4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120594808) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120594808
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC Name4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-21-12(10-16)9-15(20)17-7-4-8-19-11-18-13-5-2-3-6-14(13)19;;/h2-3,5-6,11-12H,4,7-10,16H2,1H3,(H,17,20);2*1H
InChIKeyXZFXSFYVDHNQAW-UHFFFAOYSA-N
XLogP1.75
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.75
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-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
5-[3-(benzimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953280
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
N-[3-(benzimidazol-1-yl)propyl]-2-(4-iodopyrazol-1-yl)acetamide
CID 91956165

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride (CID 120594808) is 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NCCCn1cnc2ccccc21.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is XZFXSFYVDHNQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c1-21-12(10-16)9-15(20)17-7-4-8-19-11-18-13-5-2-3-6-14(13)19;;/h2-3,5-6,11-12H,4,7-10,16H2,1H3,(H,17,20);2*1H.
What are the key properties of 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120594808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).