6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C19H16F3N5 — CID 118278203

IUPAC6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C19H16F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,7,9H2,1H3
InChIKeyJBTWJJMKKOCCCC-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.93
Rot. Bonds4

About 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118278203) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118278203
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C19H16F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,7,9H2,1H3
InChIKeyJBTWJJMKKOCCCC-UHFFFAOYSA-N
XLogP3.93
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
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Pf-05180999
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R121919
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5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
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Fazadinium Bromide
CID 6321422
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118278203) is 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1.
What is the InChIKey of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is JBTWJJMKKOCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,7,9H2,1H3.
What are the key properties of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 371.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).