N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride

C16H24Cl2N4O — CID 21275356

IUPACN-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-3-19(4-2)11-10-18-16(21)14-5-7-15(8-6-14)20-12-9-17-13-20;;/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,21);2*1H
InChIKeyWNQOQGGUCOQWOZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride

N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride (PubChem CID 21275356) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride
PubChem CID21275356
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC NameN-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-3-19(4-2)11-10-18-16(21)14-5-7-15(8-6-14)20-12-9-17-13-20;;/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,21);2*1H
InChIKeyWNQOQGGUCOQWOZ-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride (CID 21275356) is N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc(-n2ccnc2)cc1.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
The InChIKey is WNQOQGGUCOQWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-3-19(4-2)11-10-18-16(21)14-5-7-15(8-6-14)20-12-9-17-13-20;;/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,21);2*1H.
What are the key properties of N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride?
N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide;dihydrochloride is sourced from PubChem (CID 21275356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).