2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal

C8H10N2O — CID 141018141

IUPAC2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal
SMILESC=C(C=O)c1nc(C)[nH]c1C
InChIInChI=1S/C8H10N2O/c1-5(4-11)8-6(2)9-7(3)10-8/h4H,1H2,2-3H3,(H,9,10)
InChIKeyMHYFGHCEZZWZOV-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.24
Rot. Bonds2

About 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal

2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal (PubChem CID 141018141) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal
PubChem CID141018141
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal
SMILESC=C(C=O)c1nc(C)[nH]c1C
InChIInChI=1S/C8H10N2O/c1-5(4-11)8-6(2)9-7(3)10-8/h4H,1H2,2-3H3,(H,9,10)
InChIKeyMHYFGHCEZZWZOV-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium 2,5-dimethyl-1H-imidazole-4-carbodithioate
CID 23710801
acetaldehyde;butane-2,3-dione;molecular iodine;2,4,5-trimethyl-1H-imidazole
CID 161228444
ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate;thionyl dichloride
CID 129032483
1-(2,6-dimethyl-4-sulfanylidene-1H-pyrimidin-5-yl)ethanone
CID 22110117
2-methyl-1H-imidazole-4,5-dicarboxylate
CID 6994440
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 20683999
[1-cyano-4-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)penta-2,4-dienylidene]tungsten
CID 159351941
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1H-imidazole;ethane
CID 143037368
(4E)-4-(2-bromoprop-2-enylidene)-2-methyl-5-methylidene-1H-imidazole
CID 144986408
5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
CID 83670470
2-iodo-5-methyl-1H-imidazole-4-carboxylic acid
CID 22939881

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal?
The IUPAC name of 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal (CID 141018141) is 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal.
What is the SMILES notation for 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal?
The canonical SMILES for 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal is C=C(C=O)c1nc(C)[nH]c1C.
What is the InChIKey of 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal?
The InChIKey is MHYFGHCEZZWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5(4-11)8-6(2)9-7(3)10-8/h4H,1H2,2-3H3,(H,9,10).
What are the key properties of 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal?
2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal has a molecular weight of 150.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-imidazol-4-yl)prop-2-enal is sourced from PubChem (CID 141018141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).