N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride

C19H21ClN4O — CID 21275374

IUPACN-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride
SMILESCl.O=C(NCCNCc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H20N4O.ClH/c24-19(22-11-10-20-14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)23-13-12-21-15-23;/h1-9,12-13,15,20H,10-11,14H2,(H,22,24);1H
InChIKeyHDGGNCNUGBHUQD-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride

N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride (PubChem CID 21275374) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride
PubChem CID21275374
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride
SMILESCl.O=C(NCCNCc1ccccc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H20N4O.ClH/c24-19(22-11-10-20-14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)23-13-12-21-15-23;/h1-9,12-13,15,20H,10-11,14H2,(H,22,24);1H
InChIKeyHDGGNCNUGBHUQD-UHFFFAOYSA-N
XLogP2.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
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-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride?
The IUPAC name of N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride (CID 21275374) is N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride is Cl.O=C(NCCNCc1ccccc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride?
The InChIKey is HDGGNCNUGBHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c24-19(22-11-10-20-14-16-4-2-1-3-5-16)17-6-8-18(9-7-17)23-13-12-21-15-23;/h1-9,12-13,15,20H,10-11,14H2,(H,22,24);1H.
What are the key properties of N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride?
N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]-4-imidazol-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 21275374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).