(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine

C18H21N5O2 — CID 71694244

IUPAC(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
SMILESCOc1cccc(-c2cnc([C@@H]3COCCN3Cc3cnc[nH]3)[nH]2)c1
InChIInChI=1S/C18H21N5O2/c1-24-15-4-2-3-13(7-15)16-9-20-18(22-16)17-11-25-6-5-23(17)10-14-8-19-12-21-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,19,21)(H,20,22)/t17-/m0/s1
InChIKeyGDEAFWUCTDZWAB-KRWDZBQOSA-N
MW339.40 g/mol
LogP2.38
Rot. Bonds5

About (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine

(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 71694244) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID71694244
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
SMILESCOc1cccc(-c2cnc([C@@H]3COCCN3Cc3cnc[nH]3)[nH]2)c1
InChIInChI=1S/C18H21N5O2/c1-24-15-4-2-3-13(7-15)16-9-20-18(22-16)17-11-25-6-5-23(17)10-14-8-19-12-21-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,19,21)(H,20,22)/t17-/m0/s1
InChIKeyGDEAFWUCTDZWAB-KRWDZBQOSA-N
XLogP2.38
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
CID 75529629
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252
4-(cyclopropylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 78151247
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
(3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 71694253
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 78151185

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine (CID 71694244) is (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine is COc1cccc(-c2cnc([C@@H]3COCCN3Cc3cnc[nH]3)[nH]2)c1.
What is the InChIKey of (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is GDEAFWUCTDZWAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-24-15-4-2-3-13(7-15)16-9-20-18(22-16)17-11-25-6-5-23(17)10-14-8-19-12-21-14/h2-4,7-9,12,17H,5-6,10-11H2,1H3,(H,19,21)(H,20,22)/t17-/m0/s1.
What are the key properties of (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine?
(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 339.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 71694244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).