ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole

C13H22N2 — CID 144992355

IUPACethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]c(C(C)C)n/c1=C/C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-5-7-10-9(6-2)12-11(13-10)8(3)4;1-2/h5-8H,1H2,2-4H3,(H,12,13);1-2H3/b9-6+,10-7+;
InChIKeyWMDHVEUJTCITDU-BHSKDUGMSA-N
MW206.33 g/mol
LogP2.33
Rot. Bonds2

About ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole

ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole (PubChem CID 144992355) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
PubChem CID144992355
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
SMILESC=C/C=c1/[nH]c(C(C)C)n/c1=C/C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-5-7-10-9(6-2)12-11(13-10)8(3)4;1-2/h5-8H,1H2,2-4H3,(H,12,13);1-2H3/b9-6+,10-7+;
InChIKeyWMDHVEUJTCITDU-BHSKDUGMSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
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CID 129018850
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
N-buta-1,3-dien-2-yl-N'-[(Z)-but-2-enyl]-2-methylbutanimidamide
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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole (CID 144992355) is ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole is C=C/C=c1/[nH]c(C(C)C)n/c1=C/C.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
The InChIKey is WMDHVEUJTCITDU-BHSKDUGMSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-5-7-10-9(6-2)12-11(13-10)8(3)4;1-2/h5-8H,1H2,2-4H3,(H,12,13);1-2H3/b9-6+,10-7+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole?
ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole has a molecular weight of 206.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole is sourced from PubChem (CID 144992355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).