2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine

C15H17N3 — CID 91092395

IUPAC2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine
SMILESC=CC=c1[nH]c(C2=CCC(C)=CC=N2)nc1=CC
InChIInChI=1S/C15H17N3/c1-4-6-13-12(5-2)17-15(18-13)14-8-7-11(3)9-10-16-14/h4-6,8-10H,1,7H2,2-3H3,(H,17,18)
InChIKeyCKAFZVQAQFBFPF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.94
Rot. Bonds2

About 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine

2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine (PubChem CID 91092395) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine.

Molecular Properties

Compound Name2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine
PubChem CID91092395
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine
SMILESC=CC=c1[nH]c(C2=CCC(C)=CC=N2)nc1=CC
InChIInChI=1S/C15H17N3/c1-4-6-13-12(5-2)17-15(18-13)14-8-7-11(3)9-10-16-14/h4-6,8-10H,1,7H2,2-3H3,(H,17,18)
InChIKeyCKAFZVQAQFBFPF-UHFFFAOYSA-N
XLogP1.94
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(6-methyl-1,5-dihydrocycloocta[d]imidazol-2-yl)buta-1,3-dienyl]ethanimine
CID 90804757
N-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-2-pyridinyl]-2,3-dihydropyrazin-5-amine
CID 117813789
N-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-ethylidene-3-pyridinyl]-2,3-dihydropyrazin-5-amine
CID 117813887
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1Z)-1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]buta-1,3-dienyl]prop-2-en-1-imine
CID 134369176
2,6-Dimethyl-3,7-dihydrocyclohepta[d]imidazole
CID 137466708
(5E)-2-methyl-5-[(2Z)-3-methylpenta-2,4-dienylidene]-1,4-dihydroimidazole
CID 137466778
(4E,5E)-2-methyl-5-(3-methylbut-2-enylidene)-4-propylidene-1H-imidazole
CID 141790736
[(4E,5E)-5-[(Z)-but-2-enylidene]-4-propylidene-1H-imidazol-2-yl]methanamine;ethane
CID 142302116
ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
CID 142874761
(5E)-2-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydroimidazole
CID 142910256
N'-[(1Z,4Z)-3-methylidene-4-(prop-1-en-2-yliminomethyl)hexa-1,4-dienyl]-N-prop-1-en-2-ylethanimidamide
CID 144192845

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine?
The IUPAC name of 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine (CID 91092395) is 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine.
What is the SMILES notation for 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine?
The canonical SMILES for 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine is C=CC=c1[nH]c(C2=CCC(C)=CC=N2)nc1=CC.
What is the InChIKey of 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine?
The InChIKey is CKAFZVQAQFBFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-6-13-12(5-2)17-15(18-13)14-8-7-11(3)9-10-16-14/h4-6,8-10H,1,7H2,2-3H3,(H,17,18).
What are the key properties of 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine?
2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine has a molecular weight of 239.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl)-5-methyl-4H-azepine is sourced from PubChem (CID 91092395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).