5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide

C11H18BrN3O — CID 107908503

IUPAC5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
SMILESCC(Cn1ccnc1)NC(=O)CCCCBr
InChIInChI=1S/C11H18BrN3O/c1-10(8-15-7-6-13-9-15)14-11(16)4-2-3-5-12/h6-7,9-10H,2-5,8H2,1H3,(H,14,16)
InChIKeyHMUFTZSUWZHUIX-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.95
Rot. Bonds7

About 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide

5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide (PubChem CID 107908503) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
PubChem CID107908503
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
SMILESCC(Cn1ccnc1)NC(=O)CCCCBr
InChIInChI=1S/C11H18BrN3O/c1-10(8-15-7-6-13-9-15)14-11(16)4-2-3-5-12/h6-7,9-10H,2-5,8H2,1H3,(H,14,16)
InChIKeyHMUFTZSUWZHUIX-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 103614931
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
CID 115283469
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide (CID 107908503) is 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide is CC(Cn1ccnc1)NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
The InChIKey is HMUFTZSUWZHUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-10(8-15-7-6-13-9-15)14-11(16)4-2-3-5-12/h6-7,9-10H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide?
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide has a molecular weight of 288.19 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 107908503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).