2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H29N3O — CID 114339438

IUPAC2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)n1cncc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C17H29N3O/c1-13(2)20-12-18-10-14(20)11-19-9-5-7-16(19)15-6-3-4-8-17(15)21/h10,12-13,15-17,21H,3-9,11H2,1-2H3
InChIKeyYOIJQTGCVPXYEQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.98
Rot. Bonds4

About 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339438) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339438
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCC(C)n1cncc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C17H29N3O/c1-13(2)20-12-18-10-14(20)11-19-9-5-7-16(19)15-6-3-4-8-17(15)21/h10,12-13,15-17,21H,3-9,11H2,1-2H3
InChIKeyYOIJQTGCVPXYEQ-UHFFFAOYSA-N
XLogP2.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339438) is 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is CC(C)n1cncc1CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is YOIJQTGCVPXYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)20-12-18-10-14(20)11-19-9-5-7-16(19)15-6-3-4-8-17(15)21/h10,12-13,15-17,21H,3-9,11H2,1-2H3.
What are the key properties of 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).