4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine

C14H20ClN3 — CID 142272948

IUPAC4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine
SMILESC/C=c1/nc(C2CCNCC2)[nH]/c1=C/C(C)=C/Cl
InChIInChI=1S/C14H20ClN3/c1-3-12-13(8-10(2)9-15)18-14(17-12)11-4-6-16-7-5-11/h3,8-9,11,16H,4-7H2,1-2H3,(H,17,18)/b10-9+,12-3+,13-8+
InChIKeyQKHCKNCLYOGLQP-IWCBRQFUSA-N
MW265.79 g/mol
LogP1.60
Rot. Bonds2

About 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine

4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine (PubChem CID 142272948) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine
PubChem CID142272948
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine
SMILESC/C=c1/nc(C2CCNCC2)[nH]/c1=C/C(C)=C/Cl
InChIInChI=1S/C14H20ClN3/c1-3-12-13(8-10(2)9-15)18-14(17-12)11-4-6-16-7-5-11/h3,8-9,11,16H,4-7H2,1-2H3,(H,17,18)/b10-9+,12-3+,13-8+
InChIKeyQKHCKNCLYOGLQP-IWCBRQFUSA-N
XLogP1.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944

Frequently Asked Questions

What is the IUPAC name of 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine?
The IUPAC name of 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine (CID 142272948) is 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine is C/C=c1/nc(C2CCNCC2)[nH]/c1=C/C(C)=C/Cl.
What is the InChIKey of 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine?
The InChIKey is QKHCKNCLYOGLQP-IWCBRQFUSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-12-13(8-10(2)9-15)18-14(17-12)11-4-6-16-7-5-11/h3,8-9,11,16H,4-7H2,1-2H3,(H,17,18)/b10-9+,12-3+,13-8+.
What are the key properties of 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine?
4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine has a molecular weight of 265.79 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,5E)-5-[(E)-3-chloro-2-methylprop-2-enylidene]-4-ethylidene-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 142272948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).