(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol

C16H29N3O — CID 134184096

IUPAC(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol
SMILESCc1ncc(CC(C)(C)N2CC[C@@H](O)C2)n1C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-12-17-10-13(19(12)15(2,3)4)9-16(5,6)18-8-7-14(20)11-18/h10,14,20H,7-9,11H2,1-6H3/t14-/m1/s1
InChIKeyPYSUHURZLBXFRT-CQSZACIVSA-N
MW279.43 g/mol
LogP2.33
Rot. Bonds3

About (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol

(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol (PubChem CID 134184096) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol
PubChem CID134184096
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol
SMILESCc1ncc(CC(C)(C)N2CC[C@@H](O)C2)n1C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-12-17-10-13(19(12)15(2,3)4)9-16(5,6)18-8-7-14(20)11-18/h10,14,20H,7-9,11H2,1-6H3/t14-/m1/s1
InChIKeyPYSUHURZLBXFRT-CQSZACIVSA-N
XLogP2.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol (CID 134184096) is (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol is Cc1ncc(CC(C)(C)N2CC[C@@H](O)C2)n1C(C)(C)C.
What is the InChIKey of (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol?
The InChIKey is PYSUHURZLBXFRT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12-17-10-13(19(12)15(2,3)4)9-16(5,6)18-8-7-14(20)11-18/h10,14,20H,7-9,11H2,1-6H3/t14-/m1/s1.
What are the key properties of (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol?
(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol has a molecular weight of 279.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134184096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).