4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

C19H16FN3 — CID 10017970

IUPAC4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
SMILESCc1cc(C#Cc2cn(-c3ccc(C)c(F)c3)c(C)n2)ccn1
InChIInChI=1S/C19H16FN3/c1-13-4-7-18(11-19(13)20)23-12-17(22-15(23)3)6-5-16-8-9-21-14(2)10-16/h4,7-12H,1-3H3
InChIKeyDKVTWQFCTBXTNB-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.73
Rot. Bonds1

About 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine (PubChem CID 10017970) has the molecular formula C19H16FN3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
PubChem CID10017970
Molecular FormulaC19H16FN3
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
SMILESCc1cc(C#Cc2cn(-c3ccc(C)c(F)c3)c(C)n2)ccn1
InChIInChI=1S/C19H16FN3/c1-13-4-7-18(11-19(13)20)23-12-17(22-15(23)3)6-5-16-8-9-21-14(2)10-16/h4,7-12H,1-3H3
InChIKeyDKVTWQFCTBXTNB-UHFFFAOYSA-N
XLogP3.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
2-chloro-4-[2-[1-(3-chloro-4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595317
4-chloro-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10244859
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
CID 24963367
4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-2-methylpyridine
CID 11148529
2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
CID 10450985
4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 11196277
4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10245173
2-chloro-4-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridine
CID 86649881
5-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-methylpyridazin-3-one
CID 58111197
2-chloro-4-[2-[1-(6-fluoro-2-pyridinyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86649882
4-[2-(3-bromo-4-fluorophenyl)ethynyl]-2-methylpyridine
CID 59763879

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The IUPAC name of 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine (CID 10017970) is 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine.
What is the SMILES notation for 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The canonical SMILES for 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine is Cc1cc(C#Cc2cn(-c3ccc(C)c(F)c3)c(C)n2)ccn1.
What is the InChIKey of 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The InChIKey is DKVTWQFCTBXTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3/c1-13-4-7-18(11-19(13)20)23-12-17(22-15(23)3)6-5-16-8-9-21-14(2)10-16/h4,7-12H,1-3H3.
What are the key properties of 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine has a molecular weight of 305.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine is sourced from PubChem (CID 10017970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).