4-(chloromethyl)-1-(2-methoxypropyl)imidazole

C8H13ClN2O — CID 106720806

IUPAC4-(chloromethyl)-1-(2-methoxypropyl)imidazole
SMILESCOC(C)Cn1cnc(CCl)c1
InChIInChI=1S/C8H13ClN2O/c1-7(12-2)4-11-5-8(3-9)10-6-11/h5-7H,3-4H2,1-2H3
InChIKeyPFLLFTCXEJPRHX-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.66
Rot. Bonds4

About 4-(chloromethyl)-1-(2-methoxypropyl)imidazole

4-(chloromethyl)-1-(2-methoxypropyl)imidazole (PubChem CID 106720806) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-methoxypropyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-methoxypropyl)imidazole
PubChem CID106720806
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name4-(chloromethyl)-1-(2-methoxypropyl)imidazole
SMILESCOC(C)Cn1cnc(CCl)c1
InChIInChI=1S/C8H13ClN2O/c1-7(12-2)4-11-5-8(3-9)10-6-11/h5-7H,3-4H2,1-2H3
InChIKeyPFLLFTCXEJPRHX-UHFFFAOYSA-N
XLogP1.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutyl)-1-(2-methylpropyl)imidazole
CID 159067201
4-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]imidazole
CID 106720892
4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 106720678
1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
CID 106717444
4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
CID 106720878
1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
CID 106720710
4-(chloromethyl)-1-(3-phenoxypropyl)imidazole
CID 106720865
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]imidazole
CID 106720874
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719477
2-[1-(methoxymethyl)imidazol-4-yl]ethanamine
CID 106720976
dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol
CID 89279952

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-methoxypropyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(2-methoxypropyl)imidazole (CID 106720806) is 4-(chloromethyl)-1-(2-methoxypropyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(2-methoxypropyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(2-methoxypropyl)imidazole is COC(C)Cn1cnc(CCl)c1.
What is the InChIKey of 4-(chloromethyl)-1-(2-methoxypropyl)imidazole?
The InChIKey is PFLLFTCXEJPRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-7(12-2)4-11-5-8(3-9)10-6-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-(2-methoxypropyl)imidazole?
4-(chloromethyl)-1-(2-methoxypropyl)imidazole has a molecular weight of 188.66 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-methoxypropyl)imidazole is sourced from PubChem (CID 106720806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).