(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine

C12H17N5O — CID 125017640

IUPAC(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc([C@H]2CN(Cc3cnc[nH]3)CCO2)[nH]1
InChIInChI=1S/C12H17N5O/c1-9-4-14-12(16-9)11-7-17(2-3-18-11)6-10-5-13-8-15-10/h4-5,8,11H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)/t11-/m1/s1
InChIKeyXIVNZLFAJNOQOD-LLVKDONJSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds3

About (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine

(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 125017640) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID125017640
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc([C@H]2CN(Cc3cnc[nH]3)CCO2)[nH]1
InChIInChI=1S/C12H17N5O/c1-9-4-14-12(16-9)11-7-17(2-3-18-11)6-10-5-13-8-15-10/h4-5,8,11H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)/t11-/m1/s1
InChIKeyXIVNZLFAJNOQOD-LLVKDONJSA-N
XLogP1.01
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 124944985
4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 110103183
4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
CID 110271963
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124963019
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
4-(1H-indol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 155983471
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960812
3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 124969004
(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960811
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
5-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954554

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine (CID 125017640) is (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine is Cc1cnc([C@H]2CN(Cc3cnc[nH]3)CCO2)[nH]1.
What is the InChIKey of (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is XIVNZLFAJNOQOD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-4-14-12(16-9)11-7-17(2-3-18-11)6-10-5-13-8-15-10/h4-5,8,11H,2-3,6-7H2,1H3,(H,13,15)(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 247.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 125017640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).