(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol

C14H20N3O2+ — CID 7305267

IUPAC(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@H](Cn1cnc2ccccc21)C[NH+]1CCOCC1
InChIInChI=1S/C14H19N3O2/c18-12(9-16-5-7-19-8-6-16)10-17-11-15-13-3-1-2-4-14(13)17/h1-4,11-12,18H,5-10H2/p+1/t12-/m0/s1
InChIKeyQCICEPWMGABCQF-LBPRGKRZSA-O
MW262.33 g/mol
LogP-0.69
Rot. Bonds4

About (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol

(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 7305267) has the molecular formula C14H20N3O2+ and a molecular weight of 262.33 g/mol. Its IUPAC name is (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID7305267
Molecular FormulaC14H20N3O2+
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@H](Cn1cnc2ccccc21)C[NH+]1CCOCC1
InChIInChI=1S/C14H19N3O2/c18-12(9-16-5-7-19-8-6-16)10-17-11-15-13-3-1-2-4-14(13)17/h1-4,11-12,18H,5-10H2/p+1/t12-/m0/s1
InChIKeyQCICEPWMGABCQF-LBPRGKRZSA-O
XLogP-0.69
TPSA51.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 7305267) is (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol is O[C@H](Cn1cnc2ccccc21)C[NH+]1CCOCC1.
What is the InChIKey of (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is QCICEPWMGABCQF-LBPRGKRZSA-O. The full InChI is InChI=1S/C14H19N3O2/c18-12(9-16-5-7-19-8-6-16)10-17-11-15-13-3-1-2-4-14(13)17/h1-4,11-12,18H,5-10H2/p+1/t12-/m0/s1.
What are the key properties of (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 262.33 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzimidazol-1-yl)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 7305267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).