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

C13H17BrN4O — CID 64511499

IUPAC4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H17BrN4O/c1-9(2)18-7-10(14)6-11(18)13(19)17(3)8-12-15-4-5-16-12/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyJWTUWYSMFARMGU-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.83
Rot. Bonds4

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

4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64511499) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64511499
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H17BrN4O/c1-9(2)18-7-10(14)6-11(18)13(19)17(3)8-12-15-4-5-16-12/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyJWTUWYSMFARMGU-UHFFFAOYSA-N
XLogP2.83
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 64511499) is 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JWTUWYSMFARMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-9(2)18-7-10(14)6-11(18)13(19)17(3)8-12-15-4-5-16-12/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64511499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).