2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine

C16H21N3O — CID 102604354

IUPAC2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine
SMILESCn1cncc1CN1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C16H21N3O/c1-18-13-17-10-15(18)11-19-7-8-20-16(12-19)9-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3
InChIKeyMADQLRDEKMZMKL-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds4

About 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine

2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine (PubChem CID 102604354) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine
PubChem CID102604354
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine
SMILESCn1cncc1CN1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C16H21N3O/c1-18-13-17-10-15(18)11-19-7-8-20-16(12-19)9-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3
InChIKeyMADQLRDEKMZMKL-UHFFFAOYSA-N
XLogP1.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxy-ethyl)-5-phenyl-1H-imidazol-2-ylamine
CID 3160437
N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-N-methyl-1-(2-phenylethyl)-3-piperidinamine
CID 45180273
3-Benzyl-8-[(3-methylimidazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 91800756
Imidazole, 1-(1-phenylethyl)-5-(morpholinomethyl)-
CID 299413
1-Azolyl-4-phenyl-2-butanone, 55
CID 44604574
1-Azolyl-4-phenyl-2-butanone, 62
CID 44604580
1-(2,4-difluorobenzyl)-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 91923906
1-(3,4-difluorobenzyl)-3-{[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 124052968
(3-Benzyl-2-methylimidazol-4-yl)-phenylmethanol
CID 304329
5-Phenyl-1-(tetrahydro-furan-2-ylmethyl)-1H-imidazol-2-ylamine
CID 649754
4-{[2-(ethylsulfonyl)-1-(3-phenylpropyl)-1H-imidazol-5-yl]methyl}morpholine
CID 28359976
4-[4-(1-Imidazol-1-ylethyl)phenyl]morpholine
CID 44456306

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine?
The IUPAC name of 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine (CID 102604354) is 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine is Cn1cncc1CN1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine?
The InChIKey is MADQLRDEKMZMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-13-17-10-15(18)11-19-7-8-20-16(12-19)9-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3.
What are the key properties of 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine?
2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(3-methylimidazol-4-yl)methyl]morpholine is sourced from PubChem (CID 102604354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).