4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol

C14H23N3O2 — CID 124943790

IUPAC4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCc1cnc([C@H]2CCCN2CC2(O)CCOCC2)[nH]1
InChIInChI=1S/C14H23N3O2/c1-11-9-15-13(16-11)12-3-2-6-17(12)10-14(18)4-7-19-8-5-14/h9,12,18H,2-8,10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyBFCIANYOSLSYDU-GFCCVEGCSA-N
MW265.36 g/mol
LogP1.40
Rot. Bonds3

About 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol

4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol (PubChem CID 124943790) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
PubChem CID124943790
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
SMILESCc1cnc([C@H]2CCCN2CC2(O)CCOCC2)[nH]1
InChIInChI=1S/C14H23N3O2/c1-11-9-15-13(16-11)12-3-2-6-17(12)10-14(18)4-7-19-8-5-14/h9,12,18H,2-8,10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyBFCIANYOSLSYDU-GFCCVEGCSA-N
XLogP1.40
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol (CID 124943790) is 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol is Cc1cnc([C@H]2CCCN2CC2(O)CCOCC2)[nH]1.
What is the InChIKey of 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
The InChIKey is BFCIANYOSLSYDU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-9-15-13(16-11)12-3-2-6-17(12)10-14(18)4-7-19-8-5-14/h9,12,18H,2-8,10H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol?
4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol has a molecular weight of 265.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 124943790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).