4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole

C10H14N2 — CID 123878865

IUPAC4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole
SMILESC=CC(C)=c1ncn(C)c1=CC
InChIInChI=1S/C10H14N2/c1-5-8(3)10-9(6-2)12(4)7-11-10/h5-7H,1H2,2-4H3
InChIKeyWHIOLGQYGRCUDS-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.58
Rot. Bonds1

About 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole

4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole (PubChem CID 123878865) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole.

Molecular Properties

Compound Name4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole
PubChem CID123878865
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole
SMILESC=CC(C)=c1ncn(C)c1=CC
InChIInChI=1S/C10H14N2/c1-5-8(3)10-9(6-2)12(4)7-11-10/h5-7H,1H2,2-4H3
InChIKeyWHIOLGQYGRCUDS-UHFFFAOYSA-N
XLogP0.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 59708824
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole
CID 126757787
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole
CID 131965942

Frequently Asked Questions

What is the IUPAC name of 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
The IUPAC name of 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole (CID 123878865) is 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole.
What is the SMILES notation for 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
The canonical SMILES for 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole is C=CC(C)=c1ncn(C)c1=CC.
What is the InChIKey of 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
The InChIKey is WHIOLGQYGRCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-8(3)10-9(6-2)12(4)7-11-10/h5-7H,1H2,2-4H3.
What are the key properties of 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole has a molecular weight of 162.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole is sourced from PubChem (CID 123878865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).