(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine

C17H22N6O — CID 129340570

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2nc3ccccc3n2C)CCO1
InChIInChI=1S/C17H22N6O/c1-3-23-12-18-20-17(23)15-10-22(8-9-24-15)11-16-19-13-6-4-5-7-14(13)21(16)2/h4-7,12,15H,3,8-11H2,1-2H3/t15-/m1/s1
InChIKeyQDDUCAJJYODEGC-OAHLLOKOSA-N
MW326.40 g/mol
LogP1.76
Rot. Bonds4

About (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 129340570) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
PubChem CID129340570
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2nc3ccccc3n2C)CCO1
InChIInChI=1S/C17H22N6O/c1-3-23-12-18-20-17(23)15-10-22(8-9-24-15)11-16-19-13-6-4-5-7-14(13)21(16)2/h4-7,12,15H,3,8-11H2,1-2H3/t15-/m1/s1
InChIKeyQDDUCAJJYODEGC-OAHLLOKOSA-N
XLogP1.76
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine with MolForge

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Related Compounds

3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757
3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959756
6-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124959514
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
CID 124942629
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512374
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine (CID 129340570) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine is CCn1cnnc1[C@H]1CN(Cc2nc3ccccc3n2C)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is QDDUCAJJYODEGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-23-12-18-20-17(23)15-10-22(8-9-24-15)11-16-19-13-6-4-5-7-14(13)21(16)2/h4-7,12,15H,3,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 326.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 129340570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).