2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole

C15H17FN4 — CID 56789706

IUPAC2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
SMILESCCn1c(Cn2cnc(C)c2C)nc2c(F)cccc21
InChIInChI=1S/C15H17FN4/c1-4-20-13-7-5-6-12(16)15(13)18-14(20)8-19-9-17-10(2)11(19)3/h5-7,9H,4,8H2,1-3H3
InChIKeyJQCFMPMULJJVEC-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.06
Rot. Bonds3

About 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole

2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole (PubChem CID 56789706) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
PubChem CID56789706
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
SMILESCCn1c(Cn2cnc(C)c2C)nc2c(F)cccc21
InChIInChI=1S/C15H17FN4/c1-4-20-13-7-5-6-12(16)15(13)18-14(20)8-19-9-17-10(2)11(19)3/h5-7,9H,4,8H2,1-3H3
InChIKeyJQCFMPMULJJVEC-UHFFFAOYSA-N
XLogP3.06
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole?
The IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole (CID 56789706) is 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole.
What is the SMILES notation for 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole?
The canonical SMILES for 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole is CCn1c(Cn2cnc(C)c2C)nc2c(F)cccc21.
What is the InChIKey of 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole?
The InChIKey is JQCFMPMULJJVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-4-20-13-7-5-6-12(16)15(13)18-14(20)8-19-9-17-10(2)11(19)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole?
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole has a molecular weight of 272.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole is sourced from PubChem (CID 56789706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).