1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine

C19H20F3N3O — CID 178060135

IUPAC1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine
SMILESCn1cnc2ccccc21.Fc1cc(CN2CCOCC2)cc(F)c1F
InChIInChI=1S/C11H12F3NO.C8H8N2/c12-9-5-8(6-10(13)11(9)14)7-15-1-3-16-4-2-15;1-10-6-9-7-4-2-3-5-8(7)10/h5-6H,1-4,7H2;2-6H,1H3
InChIKeyQTZDSJYLGPGXTN-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.51
Rot. Bonds2

About 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine

1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine (PubChem CID 178060135) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine
PubChem CID178060135
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine
SMILESCn1cnc2ccccc21.Fc1cc(CN2CCOCC2)cc(F)c1F
InChIInChI=1S/C11H12F3NO.C8H8N2/c12-9-5-8(6-10(13)11(9)14)7-15-1-3-16-4-2-15;1-10-6-9-7-4-2-3-5-8(7)10/h5-6H,1-4,7H2;2-6H,1H3
InChIKeyQTZDSJYLGPGXTN-UHFFFAOYSA-N
XLogP3.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-3-fluorophenyl)methyl]morpholine;1-methylbenzimidazole
CID 178060103
1-methylbenzimidazole;morpholine
CID 178060017
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
1-methylbenzimidazole;propane
CID 91130597
CID 172839062
CID 172839062
4-[[3-[2-(benzimidazol-1-yl)ethoxy]-4-methoxyphenyl]methyl]morpholine;formic acid
CID 172896679
4-[(2-tert-butyl-4-pyridinyl)methyl]morpholine
CID 58209224
4-[(4-fluoro-1-methylindol-3-yl)methyl]morpholine
CID 117171192
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine?
The IUPAC name of 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine (CID 178060135) is 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine.
What is the SMILES notation for 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine?
The canonical SMILES for 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine is Cn1cnc2ccccc21.Fc1cc(CN2CCOCC2)cc(F)c1F.
What is the InChIKey of 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine?
The InChIKey is QTZDSJYLGPGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.C8H8N2/c12-9-5-8(6-10(13)11(9)14)7-15-1-3-16-4-2-15;1-10-6-9-7-4-2-3-5-8(7)10/h5-6H,1-4,7H2;2-6H,1H3.
What are the key properties of 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine?
1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine has a molecular weight of 363.38 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine is sourced from PubChem (CID 178060135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).