N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide

C9H11N3O — CID 145083800

IUPACN-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide
SMILESC=Cc1nc(NC(C)=O)[nH]c1C=C
InChIInChI=1S/C9H11N3O/c1-4-7-8(5-2)12-9(11-7)10-6(3)13/h4-5H,1-2H2,3H3,(H2,10,11,12,13)
InChIKeyKITRXOWSLSBWPK-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.65
Rot. Bonds3

About N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide

N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide (PubChem CID 145083800) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide
PubChem CID145083800
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide
SMILESC=Cc1nc(NC(C)=O)[nH]c1C=C
InChIInChI=1S/C9H11N3O/c1-4-7-8(5-2)12-9(11-7)10-6(3)13/h4-5H,1-2H2,3H3,(H2,10,11,12,13)
InChIKeyKITRXOWSLSBWPK-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide (CID 145083800) is N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide is C=Cc1nc(NC(C)=O)[nH]c1C=C.
What is the InChIKey of N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide?
The InChIKey is KITRXOWSLSBWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-4-7-8(5-2)12-9(11-7)10-6(3)13/h4-5H,1-2H2,3H3,(H2,10,11,12,13).
What are the key properties of N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide?
N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide has a molecular weight of 177.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(ethenyl)-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 145083800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).