(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine

C17H22N6O — CID 96997039

IUPAC(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCCc1nc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n[nH]1
InChIInChI=1S/C17H22N6O/c1-3-15-19-17(21-20-15)14-10-23(8-9-24-14)11-16-18-12-6-4-5-7-13(12)22(16)2/h4-7,14H,3,8-11H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyGWXGHUCOGWLZBB-CQSZACIVSA-N
MW326.40 g/mol
LogP1.83
Rot. Bonds4

About (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine

(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 96997039) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
PubChem CID96997039
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
SMILESCCc1nc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n[nH]1
InChIInChI=1S/C17H22N6O/c1-3-15-19-17(21-20-15)14-10-23(8-9-24-14)11-16-18-12-6-4-5-7-13(12)22(16)2/h4-7,14H,3,8-11H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyGWXGHUCOGWLZBB-CQSZACIVSA-N
XLogP1.83
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine with MolForge

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Related Compounds

6-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124959514
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
CID 124942629
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-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
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
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine (CID 96997039) is (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine is CCc1nc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n[nH]1.
What is the InChIKey of (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is GWXGHUCOGWLZBB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-15-19-17(21-20-15)14-10-23(8-9-24-14)11-16-18-12-6-4-5-7-13(12)22(16)2/h4-7,14H,3,8-11H2,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine?
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 326.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 96997039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).