5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one

C18H17FN2O4 — CID 142429527

IUPAC5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(F)cc3)ccc21
InChIInChI=1S/C18H17FN2O4/c1-20-15-7-6-14(25-13-4-2-12(19)3-5-13)8-16(15)21(17(20)22)9-18(23)10-24-11-18/h2-8,23H,9-11H2,1H3
InChIKeyMMFPNRSKRXBTTM-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.03
Rot. Bonds4

About 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one

5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one (PubChem CID 142429527) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one
PubChem CID142429527
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(F)cc3)ccc21
InChIInChI=1S/C18H17FN2O4/c1-20-15-7-6-14(25-13-4-2-12(19)3-5-13)8-16(15)21(17(20)22)9-18(23)10-24-11-18/h2-8,23H,9-11H2,1H3
InChIKeyMMFPNRSKRXBTTM-UHFFFAOYSA-N
XLogP2.03
TPSA65.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one?
The IUPAC name of 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one (CID 142429527) is 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one.
What is the SMILES notation for 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one?
The canonical SMILES for 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one is Cn1c(=O)n(CC2(O)COC2)c2cc(Oc3ccc(F)cc3)ccc21.
What is the InChIKey of 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one?
The InChIKey is MMFPNRSKRXBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-20-15-7-6-14(25-13-4-2-12(19)3-5-13)8-16(15)21(17(20)22)9-18(23)10-24-11-18/h2-8,23H,9-11H2,1H3.
What are the key properties of 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one?
5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one has a molecular weight of 344.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-3-[(3-hydroxyoxetan-3-yl)methyl]-1-methylbenzimidazol-2-one is sourced from PubChem (CID 142429527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).