(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole

C10H16N2 — CID 137427602

IUPAC(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole
SMILESCCC/C(C)=C\C=C1/CN=CN1
InChIInChI=1S/C10H16N2/c1-3-4-9(2)5-6-10-7-11-8-12-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b9-5-,10-6+
InChIKeyVHSDKLNJHDHFJT-VTBWALSUSA-N
MW164.25 g/mol
LogP2.25
Rot. Bonds3

About (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole

(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole (PubChem CID 137427602) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole
PubChem CID137427602
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole
SMILESCCC/C(C)=C\C=C1/CN=CN1
InChIInChI=1S/C10H16N2/c1-3-4-9(2)5-6-10-7-11-8-12-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b9-5-,10-6+
InChIKeyVHSDKLNJHDHFJT-VTBWALSUSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-[[(2E,4E)-2-ethyl-5,6-difluorohexa-2,4-dienyl]amino]pent-2-enyl]-N'-methylmethanimidamide
CID 144287765
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1H-imidazole
CID 70866026
8-Methyl-3,7-dihydrocyclohepta[d]imidazole
CID 91065909
6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
CID 117792001
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139
(Z,3Z)-4,4-dimethyl-3-(4-methyl-1,4-dihydroimidazol-5-ylidene)pent-1-en-1-amine
CID 126612625
N-(2-ethenylcyclohexa-1,5-dien-1-yl)-N'-methylmethanimidamide
CID 129060116
N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
CID 129294469
(6E)-6-hexan-2-ylidene-1H-pyrimidine
CID 130242037

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole?
The IUPAC name of (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole (CID 137427602) is (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole.
What is the SMILES notation for (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole?
The canonical SMILES for (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole is CCC/C(C)=C\C=C1/CN=CN1.
What is the InChIKey of (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole?
The InChIKey is VHSDKLNJHDHFJT-VTBWALSUSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-9(2)5-6-10-7-11-8-12-10/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b9-5-,10-6+.
What are the key properties of (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole?
(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole has a molecular weight of 164.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole is sourced from PubChem (CID 137427602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).