2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide

C14H17BrN4O2 — CID 90370316

IUPAC2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(Br)cn2CC(=O)NC(C)C)ccn1
InChIInChI=1S/C14H17BrN4O2/c1-9(2)17-12(20)8-19-7-11(15)18-14(19)10-4-5-16-13(6-10)21-3/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyLHTQVBCQLBVYFB-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide

2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 90370316) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID90370316
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(Br)cn2CC(=O)NC(C)C)ccn1
InChIInChI=1S/C14H17BrN4O2/c1-9(2)17-12(20)8-19-7-11(15)18-14(19)10-4-5-16-13(6-10)21-3/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyLHTQVBCQLBVYFB-UHFFFAOYSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 90370316) is 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide is COc1cc(-c2nc(Br)cn2CC(=O)NC(C)C)ccn1.
What is the InChIKey of 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is LHTQVBCQLBVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-9(2)17-12(20)8-19-7-11(15)18-14(19)10-4-5-16-13(6-10)21-3/h4-7,9H,8H2,1-3H3,(H,17,20).
What are the key properties of 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 353.22 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2-methoxy-4-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 90370316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).