(3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine

C21H22FN3O — CID 56775952

IUPAC(3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccc3F)[nH]2)cc1
InChIInChI=1S/C21H22FN3O/c1-15-6-8-16(9-7-15)19-12-23-21(24-19)20-14-26-11-10-25(20)13-17-4-2-3-5-18(17)22/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyRFIDVXJBXMMYKU-FQEVSTJZSA-N
MW351.43 g/mol
LogP4.10
Rot. Bonds4

About (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine

(3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 56775952) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID56775952
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name(3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccc3F)[nH]2)cc1
InChIInChI=1S/C21H22FN3O/c1-15-6-8-16(9-7-15)19-12-23-21(24-19)20-14-26-11-10-25(20)13-17-4-2-3-5-18(17)22/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyRFIDVXJBXMMYKU-FQEVSTJZSA-N
XLogP4.10
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine (CID 56775952) is (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine is Cc1ccc(-c2cnc([C@@H]3COCCN3Cc3ccccc3F)[nH]2)cc1.
What is the InChIKey of (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is RFIDVXJBXMMYKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-15-6-8-16(9-7-15)19-12-23-21(24-19)20-14-26-11-10-25(20)13-17-4-2-3-5-18(17)22/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine?
(3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 351.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 56775952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).