4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine

C16H20ClN3O — CID 142668711

IUPAC4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine
SMILESCc1ncn(Cc2cccc(N3CCOCC3)c2)c1CCl
InChIInChI=1S/C16H20ClN3O/c1-13-16(10-17)20(12-18-13)11-14-3-2-4-15(9-14)19-5-7-21-8-6-19/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyKNJYDAHFQWGBIA-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.82
Rot. Bonds4

About 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine

4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine (PubChem CID 142668711) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine
PubChem CID142668711
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine
SMILESCc1ncn(Cc2cccc(N3CCOCC3)c2)c1CCl
InChIInChI=1S/C16H20ClN3O/c1-13-16(10-17)20(12-18-13)11-14-3-2-4-15(9-14)19-5-7-21-8-6-19/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyKNJYDAHFQWGBIA-UHFFFAOYSA-N
XLogP2.82
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]-3-fluorophenyl]morpholine
CID 142668705
4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
CID 59545940
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
5-methyl-2-(3-morpholin-4-ylphenyl)pyrazol-3-amine
CID 126743353
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
2,5-dimethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrole-3-carboxylic acid
CID 118871352
4-[3-[[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]phenyl]morpholine
CID 56873904
5-[(3-morpholin-4-ylphenyl)methyl]pyridin-2-amine
CID 90862060
N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
4-[1-(2-phenylethyl)benzimidazol-5-yl]morpholine
CID 175767613
N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-morpholin-4-ylphenyl)methanamine
CID 167939311

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine (CID 142668711) is 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine is Cc1ncn(Cc2cccc(N3CCOCC3)c2)c1CCl.
What is the InChIKey of 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine?
The InChIKey is KNJYDAHFQWGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-13-16(10-17)20(12-18-13)11-14-3-2-4-15(9-14)19-5-7-21-8-6-19/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine?
4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine has a molecular weight of 305.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[5-(chloromethyl)-4-methylimidazol-1-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 142668711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).