N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide

C14H18N4O — CID 14712107

IUPACN-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide
SMILESO=C(NCCNCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C14H18N4O/c19-14(12-4-2-1-3-5-12)17-9-8-15-7-6-13-10-16-11-18-13/h1-5,10-11,15H,6-9H2,(H,16,18)(H,17,19)
InChIKeyUHOYVQFLJZJZOM-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.97
Rot. Bonds7

About N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide

N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide (PubChem CID 14712107) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide
PubChem CID14712107
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide
SMILESO=C(NCCNCCc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C14H18N4O/c19-14(12-4-2-1-3-5-12)17-9-8-15-7-6-13-10-16-11-18-13/h1-5,10-11,15H,6-9H2,(H,16,18)(H,17,19)
InChIKeyUHOYVQFLJZJZOM-UHFFFAOYSA-N
XLogP0.97
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide (CID 14712107) is N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide is O=C(NCCNCCc1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide?
The InChIKey is UHOYVQFLJZJZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(12-4-2-1-3-5-12)17-9-8-15-7-6-13-10-16-11-18-13/h1-5,10-11,15H,6-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide?
N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 14712107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).