N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide

C17H24N4O — CID 24755417

IUPACN-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide
SMILESO=C(CCCCNCCc1cnc[nH]1)NCc1ccccc1
InChIInChI=1S/C17H24N4O/c22-17(20-12-15-6-2-1-3-7-15)8-4-5-10-18-11-9-16-13-19-14-21-16/h1-3,6-7,13-14,18H,4-5,8-12H2,(H,19,21)(H,20,22)
InChIKeyFBZWVTXMODHJPK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.03
Rot. Bonds10

About N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide

N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide (PubChem CID 24755417) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide
PubChem CID24755417
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide
SMILESO=C(CCCCNCCc1cnc[nH]1)NCc1ccccc1
InChIInChI=1S/C17H24N4O/c22-17(20-12-15-6-2-1-3-7-15)8-4-5-10-18-11-9-16-13-19-14-21-16/h1-3,6-7,13-14,18H,4-5,8-12H2,(H,19,21)(H,20,22)
InChIKeyFBZWVTXMODHJPK-UHFFFAOYSA-N
XLogP2.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.03
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-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide?
The IUPAC name of N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide (CID 24755417) is N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide.
What is the SMILES notation for N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide?
The canonical SMILES for N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide is O=C(CCCCNCCc1cnc[nH]1)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide?
The InChIKey is FBZWVTXMODHJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17(20-12-15-6-2-1-3-7-15)8-4-5-10-18-11-9-16-13-19-14-21-16/h1-3,6-7,13-14,18H,4-5,8-12H2,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide?
N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide has a molecular weight of 300.41 g/mol, XLogP of 2.03, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide is sourced from PubChem (CID 24755417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).