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

C10H16BrN3O — CID 107910201

IUPAC5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
SMILESO=C(CCCCBr)NCCc1cnc[nH]1
InChIInChI=1S/C10H16BrN3O/c11-5-2-1-3-10(15)13-6-4-9-7-12-8-14-9/h7-8H,1-6H2,(H,12,14)(H,13,15)
InChIKeyLKSGBWNGEXFQBE-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.63
Rot. Bonds7

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

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide (PubChem CID 107910201) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
PubChem CID107910201
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
SMILESO=C(CCCCBr)NCCc1cnc[nH]1
InChIInChI=1S/C10H16BrN3O/c11-5-2-1-3-10(15)13-6-4-9-7-12-8-14-9/h7-8H,1-6H2,(H,12,14)(H,13,15)
InChIKeyLKSGBWNGEXFQBE-UHFFFAOYSA-N
XLogP1.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
N-[2-(1H-imidazol-5-yl)ethyl]-6,8-bis(sulfanyl)octanamide
CID 162470683
(9E,12E)-N-[2-(1H-imidazol-5-yl)ethyl]octadeca-9,12-dienamide
CID 171117223
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 110205924
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
2-(1H-imidazol-5-yl)ethylurea
CID 10582986

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide (CID 107910201) is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide is O=C(CCCCBr)NCCc1cnc[nH]1.
What is the InChIKey of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide?
The InChIKey is LKSGBWNGEXFQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c11-5-2-1-3-10(15)13-6-4-9-7-12-8-14-9/h7-8H,1-6H2,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide?
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide has a molecular weight of 274.16 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide is sourced from PubChem (CID 107910201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).