4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine

C19H20FN3O — CID 134816910

IUPAC4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine
SMILESCc1cccc2nc(-c3ccc(F)cc3)n(CN3CCOCC3)c12
InChIInChI=1S/C19H20FN3O/c1-14-3-2-4-17-18(14)23(13-22-9-11-24-12-10-22)19(21-17)15-5-7-16(20)8-6-15/h2-8H,9-13H2,1H3
InChIKeyAQSHBUYMLKEFOA-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.44
Rot. Bonds3

About 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine

4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine (PubChem CID 134816910) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine
PubChem CID134816910
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine
SMILESCc1cccc2nc(-c3ccc(F)cc3)n(CN3CCOCC3)c12
InChIInChI=1S/C19H20FN3O/c1-14-3-2-4-17-18(14)23(13-22-9-11-24-12-10-22)19(21-17)15-5-7-16(20)8-6-15/h2-8H,9-13H2,1H3
InChIKeyAQSHBUYMLKEFOA-UHFFFAOYSA-N
XLogP3.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine (CID 134816910) is 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine is Cc1cccc2nc(-c3ccc(F)cc3)n(CN3CCOCC3)c12.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine?
The InChIKey is AQSHBUYMLKEFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-14-3-2-4-17-18(14)23(13-22-9-11-24-12-10-22)19(21-17)15-5-7-16(20)8-6-15/h2-8H,9-13H2,1H3.
What are the key properties of 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine?
4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine has a molecular weight of 325.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-7-methylbenzimidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 134816910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).