4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole

C19H21ClFN3O — CID 178060103

IUPAC4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole
SMILESCn1cnc2ccccc21.Fc1cc(CN2CCOCC2)ccc1Cl
InChIInChI=1S/C11H13ClFNO.C8H8N2/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;1-10-6-9-7-4-2-3-5-8(7)10/h1-2,7H,3-6,8H2;2-6H,1H3
InChIKeyVVNDRSZMGVTOKD-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.88
Rot. Bonds2

About 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole

4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole (PubChem CID 178060103) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole
PubChem CID178060103
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole
SMILESCn1cnc2ccccc21.Fc1cc(CN2CCOCC2)ccc1Cl
InChIInChI=1S/C11H13ClFNO.C8H8N2/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;1-10-6-9-7-4-2-3-5-8(7)10/h1-2,7H,3-6,8H2;2-6H,1H3
InChIKeyVVNDRSZMGVTOKD-UHFFFAOYSA-N
XLogP3.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole (CID 178060103) is 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole is Cn1cnc2ccccc21.Fc1cc(CN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole?
The InChIKey is VVNDRSZMGVTOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO.C8H8N2/c12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;1-10-6-9-7-4-2-3-5-8(7)10/h1-2,7H,3-6,8H2;2-6H,1H3.
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole?
4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole has a molecular weight of 361.85 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole is sourced from PubChem (CID 178060103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).