1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol

C16H21N3O — CID 130546252

IUPAC1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
SMILESCC1N(Cc2ccccc2)CCC1(O)c1cn(C)cn1
InChIInChI=1S/C16H21N3O/c1-13-16(20,15-11-18(2)12-17-15)8-9-19(13)10-14-6-4-3-5-7-14/h3-7,11-13,20H,8-10H2,1-2H3
InChIKeyTYUGPMKMZXCOGV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds3

About 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol

1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 130546252) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID130546252
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
SMILESCC1N(Cc2ccccc2)CCC1(O)c1cn(C)cn1
InChIInChI=1S/C16H21N3O/c1-13-16(20,15-11-18(2)12-17-15)8-9-19(13)10-14-6-4-3-5-7-14/h3-7,11-13,20H,8-10H2,1-2H3
InChIKeyTYUGPMKMZXCOGV-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
CID 130546235
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
1-benzyl-3-methoxy-2-methylpyrrolidin-3-amine
CID 19382194
(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
CID 125492661
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
1-benzyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 563820
2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
CID 83850406
(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone
CID 97393382
(2-benzyl-2-azabicyclo[3.1.1]heptan-5-yl)methanol
CID 178002287

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol (CID 130546252) is 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol is CC1N(Cc2ccccc2)CCC1(O)c1cn(C)cn1.
What is the InChIKey of 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is TYUGPMKMZXCOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-16(20,15-11-18(2)12-17-15)8-9-19(13)10-14-6-4-3-5-7-14/h3-7,11-13,20H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol?
1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130546252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).