1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole

C17H23N3O2 — CID 131920287

IUPAC1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
SMILESCOCCn1ccnc1CN1CCC(Oc2ccccc2)C1
InChIInChI=1S/C17H23N3O2/c1-21-12-11-20-10-8-18-17(20)14-19-9-7-16(13-19)22-15-5-3-2-4-6-15/h2-6,8,10,16H,7,9,11-14H2,1H3
InChIKeyJUORLQKWTRFMPZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds7

About 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole

1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole (PubChem CID 131920287) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
PubChem CID131920287
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
SMILESCOCCn1ccnc1CN1CCC(Oc2ccccc2)C1
InChIInChI=1S/C17H23N3O2/c1-21-12-11-20-10-8-18-17(20)14-19-9-7-16(13-19)22-15-5-3-2-4-6-15/h2-6,8,10,16H,7,9,11-14H2,1H3
InChIKeyJUORLQKWTRFMPZ-UHFFFAOYSA-N
XLogP2.18
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
CID 50959319
4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 77092818
1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77079767
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463
1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine
CID 146135929
(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 70746404
(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 72912402
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500
1-(2-methylphenyl)-4-[[(3S)-3-phenoxypyrrolidin-1-yl]methyl]pyrazole
CID 166398373

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole (CID 131920287) is 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole is COCCn1ccnc1CN1CCC(Oc2ccccc2)C1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole?
The InChIKey is JUORLQKWTRFMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-12-11-20-10-8-18-17(20)14-19-9-7-16(13-19)22-15-5-3-2-4-6-15/h2-6,8,10,16H,7,9,11-14H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole?
1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole has a molecular weight of 301.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole is sourced from PubChem (CID 131920287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).