(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine

C9H12FN3 — CID 170019176

IUPAC(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine
SMILESC=C/C(F)=c1/nc(NC)n(C)c1=C
InChIInChI=1S/C9H12FN3/c1-5-7(10)8-6(2)13(4)9(11-3)12-8/h5H,1-2H2,3-4H3,(H,11,12)/b8-7-
InChIKeyLCGOUMZQTXBLLF-FPLPWBNLSA-N
MW181.21 g/mol
LogP0.14
Rot. Bonds2

About (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine

(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine (PubChem CID 170019176) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine.

Molecular Properties

Compound Name(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine
PubChem CID170019176
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine
SMILESC=C/C(F)=c1/nc(NC)n(C)c1=C
InChIInChI=1S/C9H12FN3/c1-5-7(10)8-6(2)13(4)9(11-3)12-8/h5H,1-2H2,3-4H3,(H,11,12)/b8-7-
InChIKeyLCGOUMZQTXBLLF-FPLPWBNLSA-N
XLogP0.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine?
The IUPAC name of (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine (CID 170019176) is (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine.
What is the SMILES notation for (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine?
The canonical SMILES for (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine is C=C/C(F)=c1/nc(NC)n(C)c1=C.
What is the InChIKey of (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine?
The InChIKey is LCGOUMZQTXBLLF-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H12FN3/c1-5-7(10)8-6(2)13(4)9(11-3)12-8/h5H,1-2H2,3-4H3,(H,11,12)/b8-7-.
What are the key properties of (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine?
(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine has a molecular weight of 181.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine is sourced from PubChem (CID 170019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).