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

C17H27N3O — CID 114339439

IUPAC2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1cncn1C1CC1
InChIInChI=1S/C17H27N3O/c21-17-6-2-1-4-15(17)16-5-3-9-19(16)11-14-10-18-12-20(14)13-7-8-13/h10,12-13,15-17,21H,1-9,11H2
InChIKeyYRNKVIMABBUOBO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.73
Rot. Bonds4

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

2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339439) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339439
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1cncn1C1CC1
InChIInChI=1S/C17H27N3O/c21-17-6-2-1-4-15(17)16-5-3-9-19(16)11-14-10-18-12-20(14)13-7-8-13/h10,12-13,15-17,21H,1-9,11H2
InChIKeyYRNKVIMABBUOBO-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

2-Cyclopentyl-1-(6-methyl-5,7-dihydroimidazo[1,5-c]imidazol-5-yl)ethanol
CID 137499792
2-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 25804613
2-[(2S)-1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 25804615
2-[1-[(3-Ethylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 43817894
2-[1-[(3-Methylimidazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 43817897
2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 64929108
2-[[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 64929661
2-[[(3-Methylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64983081
[2-[[(3-Methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 66119184
[2-[[(3-Propylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 66129796
2-[[(3-Propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 66129994
2-[[(3-Ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 66132624

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339439) is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1Cc1cncn1C1CC1.
What is the InChIKey of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is YRNKVIMABBUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17-6-2-1-4-15(17)16-5-3-9-19(16)11-14-10-18-12-20(14)13-7-8-13/h10,12-13,15-17,21H,1-9,11H2.
What are the key properties of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).