4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile

C19H15ClFN3O — CID 166907905

IUPAC4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile
SMILESCOc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C)c2Cl)cc1C
InChIInChI=1S/C19H15ClFN3O/c1-11-8-15(6-7-17(11)25-3)24-18(20)12(2)23-19(24)13-4-5-14(10-22)16(21)9-13/h4-9H,1-3H3
InChIKeyXGNCKCPGWWJXAT-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.83
Rot. Bonds3

About 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile

4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile (PubChem CID 166907905) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile
PubChem CID166907905
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile
SMILESCOc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C)c2Cl)cc1C
InChIInChI=1S/C19H15ClFN3O/c1-11-8-15(6-7-17(11)25-3)24-18(20)12(2)23-19(24)13-4-5-14(10-22)16(21)9-13/h4-9H,1-3H3
InChIKeyXGNCKCPGWWJXAT-UHFFFAOYSA-N
XLogP4.83
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile (CID 166907905) is 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile is COc1ccc(-n2c(-c3ccc(C#N)c(F)c3)nc(C)c2Cl)cc1C.
What is the InChIKey of 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile?
The InChIKey is XGNCKCPGWWJXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-11-8-15(6-7-17(11)25-3)24-18(20)12(2)23-19(24)13-4-5-14(10-22)16(21)9-13/h4-9H,1-3H3.
What are the key properties of 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile?
4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile has a molecular weight of 355.80 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-1-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 166907905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).