1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole

C10H16N2 — CID 174535033

IUPAC1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole
SMILESC=CCC1N(C)C=CN1CC=C
InChIInChI=1S/C10H16N2/c1-4-6-10-11(3)8-9-12(10)7-5-2/h4-5,8-10H,1-2,6-7H2,3H3
InChIKeyUGEDSVFUBKLKRF-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.79
Rot. Bonds4

About 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole

1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole (PubChem CID 174535033) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole
PubChem CID174535033
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole
SMILESC=CCC1N(C)C=CN1CC=C
InChIInChI=1S/C10H16N2/c1-4-6-10-11(3)8-9-12(10)7-5-2/h4-5,8-10H,1-2,6-7H2,3H3
InChIKeyUGEDSVFUBKLKRF-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl]acetaldehyde
CID 173132179
1,2-dimethyl-3-prop-2-enyl-2H-imidazole;hexafluoroantimony(1-)
CID 175588824
CID 175034195
CID 175034195
acetic acid;2-butyl-1,3-bis(prop-2-enyl)-2H-imidazole
CID 175561593
1,2-bis(prop-2-enyl)-2H-pyridine;hydrobromide
CID 174772123
1,2-bis(prop-2-enyl)-1H-isoquinoline
CID 15472971
[1,3-bis(prop-2-enyl)-2H-imidazol-2-yl] prop-2-ene-1-sulfonate
CID 87783533
5,8-dibromo-1,2-bis(prop-2-enyl)-1H-isoquinoline
CID 15472975
1,3-dimethyl-5-phenyl-2-prop-2-enyl-1,3-diazinane
CID 101109605
(2S)-3-(1-ethyl-3-methyl-2H-imidazol-2-yl)-2-hydroxypropanoic acid
CID 175712751
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
CID 69389602
6-prop-2-enyl-1-azabicyclo[3.2.0]hept-2-ene
CID 163414218

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole?
The IUPAC name of 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole (CID 174535033) is 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole?
The canonical SMILES for 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole is C=CCC1N(C)C=CN1CC=C.
What is the InChIKey of 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole?
The InChIKey is UGEDSVFUBKLKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-10-11(3)8-9-12(10)7-5-2/h4-5,8-10H,1-2,6-7H2,3H3.
What are the key properties of 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole?
1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-bis(prop-2-enyl)-2H-imidazole is sourced from PubChem (CID 174535033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).