(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole

C9H13FN2 — CID 145020415

IUPAC(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole
SMILESCC/C=c1/[nH]c(C)n/c1=C(/C)F
InChIInChI=1S/C9H13FN2/c1-4-5-8-9(6(2)10)12-7(3)11-8/h5H,4H2,1-3H3,(H,11,12)/b8-5+,9-6-
InChIKeyKSHHZBACXPRAHA-OWNHSFIXSA-N
MW168.21 g/mol
LogP1.01
Rot. Bonds1

About (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole

(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole (PubChem CID 145020415) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole.

Molecular Properties

Compound Name(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole
PubChem CID145020415
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole
SMILESCC/C=c1/[nH]c(C)n/c1=C(/C)F
InChIInChI=1S/C9H13FN2/c1-4-5-8-9(6(2)10)12-7(3)11-8/h5H,4H2,1-3H3,(H,11,12)/b8-5+,9-6-
InChIKeyKSHHZBACXPRAHA-OWNHSFIXSA-N
XLogP1.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
CID 89199717
5-Fluoro-2,6,6-trimethyl-1,5-dihydrobenzimidazole
CID 123327195
(4E)-4-[(E)-3-fluoro-2-methylbut-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
CID 126707395
(4E,5E)-4,5-bis(2-fluoroethylidene)-2-methyl-1H-imidazole
CID 132003996
6-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 144315828
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
CID 145497300
2-(2,2,2-trifluoroethyl)-5,6-dihydro-1H-benzimidazole
CID 175894186
(4E,5E)-5-(3,3-difluoropropylidene)-2-methyl-4-prop-2-ynylidene-1H-imidazole
CID 144415120
N-[(Z)-4-amino-4-fluoropent-2-en-3-yl]-N'-methylprop-2-enimidamide
CID 172240489
2-Methyl-1,5-dihydrocyclopenta[d]imidazole
CID 23558742
2-methyl-5,6-dihydro-1H-benzimidazole
CID 68273979
2,6-dimethyl-5,6-dihydro-1H-benzimidazole
CID 89510027

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole?
The IUPAC name of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole (CID 145020415) is (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole.
What is the SMILES notation for (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole?
The canonical SMILES for (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole is CC/C=c1/[nH]c(C)n/c1=C(/C)F.
What is the InChIKey of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole?
The InChIKey is KSHHZBACXPRAHA-OWNHSFIXSA-N. The full InChI is InChI=1S/C9H13FN2/c1-4-5-8-9(6(2)10)12-7(3)11-8/h5H,4H2,1-3H3,(H,11,12)/b8-5+,9-6-.
What are the key properties of (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole?
(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole has a molecular weight of 168.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-(1-fluoroethylidene)-2-methyl-5-propylidene-1H-imidazole is sourced from PubChem (CID 145020415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).