N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride

C17H26Cl2N4O — CID 21275412

IUPACN-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride
SMILESCCN(CC)CCCNC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-3-20(4-2)12-5-10-19-17(22)15-6-8-16(9-7-15)21-13-11-18-14-21;;/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,19,22);2*1H
InChIKeyVFCRGEIENOCMQL-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.18
Rot. Bonds8

About N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride

N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride (PubChem CID 21275412) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride
PubChem CID21275412
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC NameN-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride
SMILESCCN(CC)CCCNC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-3-20(4-2)12-5-10-19-17(22)15-6-8-16(9-7-15)21-13-11-18-14-21;;/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,19,22);2*1H
InChIKeyVFCRGEIENOCMQL-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride (CID 21275412) is N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride is CCN(CC)CCCNC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
The InChIKey is VFCRGEIENOCMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-3-20(4-2)12-5-10-19-17(22)15-6-8-16(9-7-15)21-13-11-18-14-21;;/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,19,22);2*1H.
What are the key properties of N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-imidazol-1-ylbenzamide;dihydrochloride is sourced from PubChem (CID 21275412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).