benzene;2-prop-2-enyl-1H-imidazole

C12H14N2 — CID 67424807

IUPACbenzene;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.c1ccccc1
InChIInChI=1S/C6H8N2.C6H6/c1-2-3-6-7-4-5-8-6;1-2-4-6-5-3-1/h2,4-5H,1,3H2,(H,7,8);1-6H
InChIKeyNWEKCCPCWOZXGU-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.82
Rot. Bonds2

About benzene;2-prop-2-enyl-1H-imidazole

benzene;2-prop-2-enyl-1H-imidazole (PubChem CID 67424807) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is benzene;2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Namebenzene;2-prop-2-enyl-1H-imidazole
PubChem CID67424807
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Namebenzene;2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc[nH]1.c1ccccc1
InChIInChI=1S/C6H8N2.C6H6/c1-2-3-6-7-4-5-8-6;1-2-4-6-5-3-1/h2,4-5H,1,3H2,(H,7,8);1-6H
InChIKeyNWEKCCPCWOZXGU-UHFFFAOYSA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 69591
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CID 240539
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CID 594045
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CID 13491484
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CID 15581127
CID 15581127
CID 24781869
CID 24781869
CID 66552052
CID 66552052
CID 61557666
CID 61557666
CID 10678801
CID 10678801
CID 59708955
CID 59708955
CID 13805404
CID 13805404
CID 24738933
CID 24738933

Frequently Asked Questions

What is the IUPAC name of benzene;2-prop-2-enyl-1H-imidazole?
The IUPAC name of benzene;2-prop-2-enyl-1H-imidazole (CID 67424807) is benzene;2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for benzene;2-prop-2-enyl-1H-imidazole?
The canonical SMILES for benzene;2-prop-2-enyl-1H-imidazole is C=CCc1ncc[nH]1.c1ccccc1.
What is the InChIKey of benzene;2-prop-2-enyl-1H-imidazole?
The InChIKey is NWEKCCPCWOZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C6H6/c1-2-3-6-7-4-5-8-6;1-2-4-6-5-3-1/h2,4-5H,1,3H2,(H,7,8);1-6H.
What are the key properties of benzene;2-prop-2-enyl-1H-imidazole?
benzene;2-prop-2-enyl-1H-imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 67424807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).