4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole

C15H18ClN3O — CID 167942848

IUPAC4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCn1cnc(CN2CCC(Oc3ccccc3Cl)C2)c1
InChIInChI=1S/C15H18ClN3O/c1-18-8-12(17-11-18)9-19-7-6-13(10-19)20-15-5-3-2-4-14(15)16/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyLLSSCNPBFBBOMR-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.73
Rot. Bonds4

About 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole

4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole (PubChem CID 167942848) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
PubChem CID167942848
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCn1cnc(CN2CCC(Oc3ccccc3Cl)C2)c1
InChIInChI=1S/C15H18ClN3O/c1-18-8-12(17-11-18)9-19-7-6-13(10-19)20-15-5-3-2-4-14(15)16/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyLLSSCNPBFBBOMR-UHFFFAOYSA-N
XLogP2.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 126774849
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
N-[2-[[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 124516746
4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
CID 167766105
4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133461969
4-(2-chlorophenoxy)-1-(1H-imidazol-2-ylmethyl)piperidine
CID 56902522
5-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-N-ethylpyrimidin-2-amine
CID 56910012
2-methyl-4-[[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 122154194
1-[3-(2-chlorophenoxy)pyrrolidin-1-yl]hex-5-en-2-ol
CID 166232983
3-(2-chlorophenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 120852346
1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817405
2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The IUPAC name of 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole (CID 167942848) is 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The canonical SMILES for 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole is Cn1cnc(CN2CCC(Oc3ccccc3Cl)C2)c1.
What is the InChIKey of 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The InChIKey is LLSSCNPBFBBOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-18-8-12(17-11-18)9-19-7-6-13(10-19)20-15-5-3-2-4-14(15)16/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole?
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole has a molecular weight of 291.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 167942848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).