4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide

C14H19BrN4O — CID 43641423

IUPAC4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H19BrN4O/c1-2-6-19-10-12(15)9-13(19)14(20)17-4-3-7-18-8-5-16-11-18/h5,8-11H,2-4,6-7H2,1H3,(H,17,20)
InChIKeyNMJDIRUITBUMRZ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.68
Rot. Bonds7

About 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43641423) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
PubChem CID43641423
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H19BrN4O/c1-2-6-19-10-12(15)9-13(19)14(20)17-4-3-7-18-8-5-16-11-18/h5,8-11H,2-4,6-7H2,1H3,(H,17,20)
InChIKeyNMJDIRUITBUMRZ-UHFFFAOYSA-N
XLogP2.68
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 60955287
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
3-tert-butyl-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-5-carboxamide
CID 87023626
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide (CID 43641423) is 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is NMJDIRUITBUMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-2-6-19-10-12(15)9-13(19)14(20)17-4-3-7-18-8-5-16-11-18/h5,8-11H,2-4,6-7H2,1H3,(H,17,20).
What are the key properties of 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).