4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine

C20H22N4O — CID 78151212

IUPAC4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
SMILESCc1ccc(CN2CCOCC2c2ncc(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C20H22N4O/c1-15-2-4-16(5-3-15)13-24-10-11-25-14-19(24)20-22-12-18(23-20)17-6-8-21-9-7-17/h2-9,12,19H,10-11,13-14H2,1H3,(H,22,23)
InChIKeySBUBWOPONHOFOY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.35
Rot. Bonds4

About 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine

4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine (PubChem CID 78151212) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
PubChem CID78151212
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
SMILESCc1ccc(CN2CCOCC2c2ncc(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C20H22N4O/c1-15-2-4-16(5-3-15)13-24-10-11-25-14-19(24)20-22-12-18(23-20)17-6-8-21-9-7-17/h2-9,12,19H,10-11,13-14H2,1H3,(H,22,23)
InChIKeySBUBWOPONHOFOY-UHFFFAOYSA-N
XLogP3.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
(3R)-4-propan-2-yl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 71694197
3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 110105489
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694177
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-indol-3-ylmethyl)morpholine
CID 71694104

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine (CID 78151212) is 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine is Cc1ccc(CN2CCOCC2c2ncc(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine?
The InChIKey is SBUBWOPONHOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-2-4-16(5-3-15)13-24-10-11-25-14-19(24)20-22-12-18(23-20)17-6-8-21-9-7-17/h2-9,12,19H,10-11,13-14H2,1H3,(H,22,23).
What are the key properties of 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine?
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine has a molecular weight of 334.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 78151212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).