5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole

C9H14ClN3O — CID 106937675

IUPAC5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole
SMILESCn1c(Cl)cnc1COC1CCNC1
InChIInChI=1S/C9H14ClN3O/c1-13-8(10)5-12-9(13)6-14-7-2-3-11-4-7/h5,7,11H,2-4,6H2,1H3
InChIKeyJTPAUAMBKOCNKM-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.95
Rot. Bonds3

About 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole

5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole (PubChem CID 106937675) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole.

Molecular Properties

Compound Name5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole
PubChem CID106937675
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole
SMILESCn1c(Cl)cnc1COC1CCNC1
InChIInChI=1S/C9H14ClN3O/c1-13-8(10)5-12-9(13)6-14-7-2-3-11-4-7/h5,7,11H,2-4,6H2,1H3
InChIKeyJTPAUAMBKOCNKM-UHFFFAOYSA-N
XLogP0.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]piperidine
CID 106938626
2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
CID 71640385
2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71636912
2-[(5-chloro-1-methylimidazol-2-yl)methoxymethyl]piperidine
CID 106937782
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
CID 71640803
3-chloro-6-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640794
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
CID 126843079
5-chloro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 55251116
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71642986

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole?
The IUPAC name of 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole (CID 106937675) is 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole.
What is the SMILES notation for 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole?
The canonical SMILES for 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole is Cn1c(Cl)cnc1COC1CCNC1.
What is the InChIKey of 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole?
The InChIKey is JTPAUAMBKOCNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-13-8(10)5-12-9(13)6-14-7-2-3-11-4-7/h5,7,11H,2-4,6H2,1H3.
What are the key properties of 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole?
5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole has a molecular weight of 215.68 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole is sourced from PubChem (CID 106937675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).