3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol

C14H14F2N4O — CID 176988475

IUPAC3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol
SMILESC=C(O)CC1N=C(N/N=C/c2c(F)cccc2F)NC1=C
InChIInChI=1S/C14H14F2N4O/c1-8(21)6-13-9(2)18-14(19-13)20-17-7-10-11(15)4-3-5-12(10)16/h3-5,7,13,21H,1-2,6H2,(H2,18,19,20)/b17-7+
InChIKeyNZJCCWRYXWSFNX-REZTVBANSA-N
MW292.29 g/mol
LogP2.19
Rot. Bonds4

About 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol

3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol (PubChem CID 176988475) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol
PubChem CID176988475
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol
SMILESC=C(O)CC1N=C(N/N=C/c2c(F)cccc2F)NC1=C
InChIInChI=1S/C14H14F2N4O/c1-8(21)6-13-9(2)18-14(19-13)20-17-7-10-11(15)4-3-5-12(10)16/h3-5,7,13,21H,1-2,6H2,(H2,18,19,20)/b17-7+
InChIKeyNZJCCWRYXWSFNX-REZTVBANSA-N
XLogP2.19
TPSA69.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroprop-2-enyl)-N-[(E)-(2,6-difluorophenyl)methylideneamino]-5-methylidene-1,4-dihydroimidazol-2-amine
CID 176988456
1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]butan-2-one
CID 176988471
1-[2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]propan-2-one
CID 176988483

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol?
The IUPAC name of 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol (CID 176988475) is 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol.
What is the SMILES notation for 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol?
The canonical SMILES for 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol is C=C(O)CC1N=C(N/N=C/c2c(F)cccc2F)NC1=C.
What is the InChIKey of 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol?
The InChIKey is NZJCCWRYXWSFNX-REZTVBANSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-8(21)6-13-9(2)18-14(19-13)20-17-7-10-11(15)4-3-5-12(10)16/h3-5,7,13,21H,1-2,6H2,(H2,18,19,20)/b17-7+.
What are the key properties of 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol?
3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol has a molecular weight of 292.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2E)-2-[(2,6-difluorophenyl)methylidene]hydrazinyl]-5-methylidene-1,4-dihydroimidazol-4-yl]prop-1-en-2-ol is sourced from PubChem (CID 176988475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).