2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine

C14H16ClN3O — CID 114716555

IUPAC2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
SMILESClc1ccccc1Cn1cncc1C1CNCCO1
InChIInChI=1S/C14H16ClN3O/c15-12-4-2-1-3-11(12)9-18-10-17-7-13(18)14-8-16-5-6-19-14/h1-4,7,10,14,16H,5-6,8-9H2
InChIKeyCWVVZIRALNPFJD-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.25
Rot. Bonds3

About 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine

2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine (PubChem CID 114716555) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
PubChem CID114716555
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
SMILESClc1ccccc1Cn1cncc1C1CNCCO1
InChIInChI=1S/C14H16ClN3O/c15-12-4-2-1-3-11(12)9-18-10-17-7-13(18)14-8-16-5-6-19-14/h1-4,7,10,14,16H,5-6,8-9H2
InChIKeyCWVVZIRALNPFJD-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
2-(3-but-3-ynylimidazol-4-yl)morpholine
CID 114720452
2-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]morpholine
CID 114718670
2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
CID 114717096
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323
2-[3-[(6-methoxy-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114720280
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
CID 114717769
2-[3-[(1-ethylcyclobutyl)methyl]imidazol-4-yl]morpholine
CID 114109907
N,N-diethyl-2-(5-morpholin-2-ylimidazol-1-yl)acetamide
CID 114721947
2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
CID 114721231

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine (CID 114716555) is 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine is Clc1ccccc1Cn1cncc1C1CNCCO1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine?
The InChIKey is CWVVZIRALNPFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-4-2-1-3-11(12)9-18-10-17-7-13(18)14-8-16-5-6-19-14/h1-4,7,10,14,16H,5-6,8-9H2.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine?
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine has a molecular weight of 277.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine is sourced from PubChem (CID 114716555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).