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

C16H21N3O — CID 10084572

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C16H21N3O/c20-16(18-11-10-15-12-17-13-19-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20)
InChIKeyGOEGDYCOBRZBLH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds8

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

N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide (PubChem CID 10084572) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide
PubChem CID10084572
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)NCCc1cnc[nH]1
InChIInChI=1S/C16H21N3O/c20-16(18-11-10-15-12-17-13-19-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20)
InChIKeyGOEGDYCOBRZBLH-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide (CID 10084572) is N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide?
The InChIKey is GOEGDYCOBRZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(18-11-10-15-12-17-13-19-15)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide has a molecular weight of 271.36 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpentanamide is sourced from PubChem (CID 10084572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).