4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C11H13BrN4O — CID 63562551

IUPAC4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13BrN4O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,1-2H3,(H2,13,14,15,17)
InChIKeyHKUXXZSZRQSOML-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.81
Rot. Bonds3

About 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63562551) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63562551
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H13BrN4O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,1-2H3,(H2,13,14,15,17)
InChIKeyHKUXXZSZRQSOML-UHFFFAOYSA-N
XLogP2.81
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63565403
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-bromo-N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63565030
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641275
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64511499
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
CID 60955815
4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 60968792

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 63562551) is 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HKUXXZSZRQSOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63562551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).