1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol

C16H21N3O — CID 130546169

IUPAC1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1ncc(C2(O)CCN(Cc3ccccc3)C2)n1C
InChIInChI=1S/C16H21N3O/c1-13-17-10-15(18(13)2)16(20)8-9-19(12-16)11-14-6-4-3-5-7-14/h3-7,10,20H,8-9,11-12H2,1-2H3
InChIKeyIGUROUZBBYWJPJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.82
Rot. Bonds3

About 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol

1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol (PubChem CID 130546169) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol
PubChem CID130546169
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol
SMILESCc1ncc(C2(O)CCN(Cc3ccccc3)C2)n1C
InChIInChI=1S/C16H21N3O/c1-13-17-10-15(18(13)2)16(20)8-9-19(12-16)11-14-6-4-3-5-7-14/h3-7,10,20H,8-9,11-12H2,1-2H3
InChIKeyIGUROUZBBYWJPJ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
(3S)-1-benzyl-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 124620280
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
CID 130546152
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol
CID 133497001
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol (CID 130546169) is 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol is Cc1ncc(C2(O)CCN(Cc3ccccc3)C2)n1C.
What is the InChIKey of 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol?
The InChIKey is IGUROUZBBYWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-17-10-15(18(13)2)16(20)8-9-19(12-16)11-14-6-4-3-5-7-14/h3-7,10,20H,8-9,11-12H2,1-2H3.
What are the key properties of 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol?
1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-dimethylimidazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130546169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).