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

C16H27N3O — CID 114339560

IUPAC2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCn1cncc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C16H27N3O/c1-2-18-12-17-10-13(18)11-19-9-5-7-15(19)14-6-3-4-8-16(14)20/h10,12,14-16,20H,2-9,11H2,1H3
InChIKeyDQBLWYLEFDOQRD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds4

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

2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339560) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339560
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESCCn1cncc1CN1CCCC1C1CCCCC1O
InChIInChI=1S/C16H27N3O/c1-2-18-12-17-10-13(18)11-19-9-5-7-15(19)14-6-3-4-8-16(14)20/h10,12,14-16,20H,2-9,11H2,1H3
InChIKeyDQBLWYLEFDOQRD-UHFFFAOYSA-N
XLogP2.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339560) is 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is CCn1cncc1CN1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is DQBLWYLEFDOQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-18-12-17-10-13(18)11-19-9-5-7-15(19)14-6-3-4-8-16(14)20/h10,12,14-16,20H,2-9,11H2,1H3.
What are the key properties of 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).