2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide

C14H17BrN4O — CID 75520410

IUPAC2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccnc1-c1cncc(Br)c1
InChIInChI=1S/C14H17BrN4O/c1-3-18(4-2)13(20)10-19-6-5-17-14(19)11-7-12(15)9-16-8-11/h5-9H,3-4,10H2,1-2H3
InChIKeyWDRIJUCXHBBHCT-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.58
Rot. Bonds5

About 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide

2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide (PubChem CID 75520410) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
PubChem CID75520410
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ccnc1-c1cncc(Br)c1
InChIInChI=1S/C14H17BrN4O/c1-3-18(4-2)13(20)10-19-6-5-17-14(19)11-7-12(15)9-16-8-11/h5-9H,3-4,10H2,1-2H3
InChIKeyWDRIJUCXHBBHCT-UHFFFAOYSA-N
XLogP2.58
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide (CID 75520410) is 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ccnc1-c1cncc(Br)c1.
What is the InChIKey of 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
The InChIKey is WDRIJUCXHBBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-18(4-2)13(20)10-19-6-5-17-14(19)11-7-12(15)9-16-8-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide has a molecular weight of 337.22 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 75520410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).