2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine

C17H24N4O — CID 91923872

IUPAC2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESCOCCn1c(C)cnc1C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H24N4O/c1-14-11-19-17(21(14)9-10-22-2)15-6-8-20(12-15)13-16-5-3-4-7-18-16/h3-5,7,11,15H,6,8-10,12-13H2,1-2H3
InChIKeyVCEJHYVRXAQKAO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.22
Rot. Bonds6

About 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine

2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 91923872) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID91923872
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESCOCCn1c(C)cnc1C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C17H24N4O/c1-14-11-19-17(21(14)9-10-22-2)15-6-8-20(12-15)13-16-5-3-4-7-18-16/h3-5,7,11,15H,6,8-10,12-13H2,1-2H3
InChIKeyVCEJHYVRXAQKAO-UHFFFAOYSA-N
XLogP2.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aS)-2-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97452990
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
CID 59694740
CID 59694740
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
(7R,8aS)-7-(2-methoxyethoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458306
(3aR,6aR)-2-(2-methoxyethyl)-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72915090
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
(5aS,8aS)-4-(2-methoxyethyl)-7-(pyridin-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine;bis(2,2,2-trifluoroacetic acid)
CID 171694037

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine (CID 91923872) is 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine is COCCn1c(C)cnc1C1CCN(Cc2ccccn2)C1.
What is the InChIKey of 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is VCEJHYVRXAQKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-11-19-17(21(14)9-10-22-2)15-6-8-20(12-15)13-16-5-3-4-7-18-16/h3-5,7,11,15H,6,8-10,12-13H2,1-2H3.
What are the key properties of 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine?
2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 91923872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).