5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one

C18H15FN4O — CID 23581668

IUPAC5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H15FN4O/c1-22-14-8-5-12(9-15(14)23(2)18(22)24)17-16(20-10-21-17)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,20,21)
InChIKeyJDMFPRZQWMYJBA-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.07
Rot. Bonds2

About 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one

5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 23581668) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one
PubChem CID23581668
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H15FN4O/c1-22-14-8-5-12(9-15(14)23(2)18(22)24)17-16(20-10-21-17)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,20,21)
InChIKeyJDMFPRZQWMYJBA-UHFFFAOYSA-N
XLogP3.07
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one (CID 23581668) is 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21.
What is the InChIKey of 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is JDMFPRZQWMYJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-22-14-8-5-12(9-15(14)23(2)18(22)24)17-16(20-10-21-17)11-3-6-13(19)7-4-11/h3-10H,1-2H3,(H,20,21).
What are the key properties of 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one?
5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 322.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 23581668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).