4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine

C13H16N4O — CID 110271963

IUPAC4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
SMILESc1ccc(C2CN(Cc3cnc[nH]3)CCO2)nc1
InChIInChI=1S/C13H16N4O/c1-2-4-15-12(3-1)13-9-17(5-6-18-13)8-11-7-14-10-16-11/h1-4,7,10,13H,5-6,8-9H2,(H,14,16)
InChIKeyYKBLUWPDNFPLHY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds3

About 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine

4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine (PubChem CID 110271963) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
PubChem CID110271963
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine
SMILESc1ccc(C2CN(Cc3cnc[nH]3)CCO2)nc1
InChIInChI=1S/C13H16N4O/c1-2-4-15-12(3-1)13-9-17(5-6-18-13)8-11-7-14-10-16-11/h1-4,7,10,13H,5-6,8-9H2,(H,14,16)
InChIKeyYKBLUWPDNFPLHY-UHFFFAOYSA-N
XLogP1.38
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 110103183
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
(2S)-2-(4,6-dimethylpyrimidin-2-yl)-4-(1H-imidazol-5-ylmethyl)morpholine
CID 124944985
4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 127245674
(2R)-4-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-ylmorpholine
CID 125003279
N-[[2-[(2R)-4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125026880
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-2-pyrazin-2-ylmorpholine
CID 124954317
(2S)-4-(1H-imidazol-2-ylmethyl)-2-pyrazin-2-ylmorpholine
CID 95842105
(2R)-2-pyridin-2-yl-4-pyridin-3-ylmorpholine
CID 125015690
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124961678

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine (CID 110271963) is 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine is c1ccc(C2CN(Cc3cnc[nH]3)CCO2)nc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine?
The InChIKey is YKBLUWPDNFPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-4-15-12(3-1)13-9-17(5-6-18-13)8-11-7-14-10-16-11/h1-4,7,10,13H,5-6,8-9H2,(H,14,16).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine?
4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine has a molecular weight of 244.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 110271963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).