(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine

C18H18FN3O — CID 57402315

IUPAC(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
SMILESFc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1
InChIInChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
InChIKeyXFQZALCRWJDNNK-QGZVFWFLSA-N
MW311.36 g/mol
LogP2.88
Rot. Bonds3

About (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine

(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine (PubChem CID 57402315) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
PubChem CID57402315
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
SMILESFc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1
InChIInChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
InChIKeyXFQZALCRWJDNNK-QGZVFWFLSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine?
The IUPAC name of (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine (CID 57402315) is (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine.
What is the SMILES notation for (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine?
The canonical SMILES for (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine is Fc1ccc(Cn2c([C@H]3CNCCO3)nc3ccccc32)cc1.
What is the InChIKey of (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine?
The InChIKey is XFQZALCRWJDNNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1.
What are the key properties of (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine?
(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine has a molecular weight of 311.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine is sourced from PubChem (CID 57402315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).