4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine

C14H17N3O — CID 58874981

IUPAC4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine
SMILESCc1ncc(-c2ccc(N3CCOCC3)cc2)[nH]1
InChIInChI=1S/C14H17N3O/c1-11-15-10-14(16-11)12-2-4-13(5-3-12)17-6-8-18-9-7-17/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyGXLLEGKSZGAURC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds2

About 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine

4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine (PubChem CID 58874981) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine
PubChem CID58874981
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine
SMILESCc1ncc(-c2ccc(N3CCOCC3)cc2)[nH]1
InChIInChI=1S/C14H17N3O/c1-11-15-10-14(16-11)12-2-4-13(5-3-12)17-6-8-18-9-7-17/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyGXLLEGKSZGAURC-UHFFFAOYSA-N
XLogP2.22
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
2-methyl-5-(2-methyl-1H-imidazol-5-yl)pyridine
CID 90181960
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 24788668
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine (CID 58874981) is 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine is Cc1ncc(-c2ccc(N3CCOCC3)cc2)[nH]1.
What is the InChIKey of 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine?
The InChIKey is GXLLEGKSZGAURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-15-10-14(16-11)12-2-4-13(5-3-12)17-6-8-18-9-7-17/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine?
4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine has a molecular weight of 243.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1H-imidazol-5-yl)phenyl]morpholine is sourced from PubChem (CID 58874981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).