(2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine

C15H19F2N3 — CID 170752786

IUPAC(2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)Cc1cnc(C2CCC(F)(F)C2)[nH]1
InChIInChI=1S/C15H19F2N3/c1-3-11(5-7-18-2)8-13-10-19-14(20-13)12-4-6-15(16,17)9-12/h3,5,7,10,12H,1,4,6,8-9H2,2H3,(H,19,20)/b11-5+,18-7+
InChIKeyHDZZEMSAJVDLQL-MWMOBXIISA-N
MW279.33 g/mol
LogP3.67
Rot. Bonds5

About (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine

(2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine (PubChem CID 170752786) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine
PubChem CID170752786
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name(2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C=N\C)Cc1cnc(C2CCC(F)(F)C2)[nH]1
InChIInChI=1S/C15H19F2N3/c1-3-11(5-7-18-2)8-13-10-19-14(20-13)12-4-6-15(16,17)9-12/h3,5,7,10,12H,1,4,6,8-9H2,2H3,(H,19,20)/b11-5+,18-7+
InChIKeyHDZZEMSAJVDLQL-MWMOBXIISA-N
XLogP3.67
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine (CID 170752786) is (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine is C=C/C(=C\C=N\C)Cc1cnc(C2CCC(F)(F)C2)[nH]1.
What is the InChIKey of (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine?
The InChIKey is HDZZEMSAJVDLQL-MWMOBXIISA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-11(5-7-18-2)8-13-10-19-14(20-13)12-4-6-15(16,17)9-12/h3,5,7,10,12H,1,4,6,8-9H2,2H3,(H,19,20)/b11-5+,18-7+.
What are the key properties of (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine?
(2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine has a molecular weight of 279.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[[2-(3,3-difluorocyclopentyl)-1H-imidazol-5-yl]methyl]-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 170752786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).