3-(1-cyclohexylimidazol-2-yl)pentan-3-ol

C14H24N2O — CID 102490470

IUPAC3-(1-cyclohexylimidazol-2-yl)pentan-3-ol
SMILESCCC(O)(CC)c1nccn1C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-14(17,4-2)13-15-10-11-16(13)12-8-6-5-7-9-12/h10-12,17H,3-9H2,1-2H3
InChIKeyCIVDKNMLFSLOBN-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.40
Rot. Bonds4

About 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol

3-(1-cyclohexylimidazol-2-yl)pentan-3-ol (PubChem CID 102490470) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-cyclohexylimidazol-2-yl)pentan-3-ol
PubChem CID102490470
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(1-cyclohexylimidazol-2-yl)pentan-3-ol
SMILESCCC(O)(CC)c1nccn1C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-14(17,4-2)13-15-10-11-16(13)12-8-6-5-7-9-12/h10-12,17H,3-9H2,1-2H3
InChIKeyCIVDKNMLFSLOBN-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol?
The IUPAC name of 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol (CID 102490470) is 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol?
The canonical SMILES for 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol is CCC(O)(CC)c1nccn1C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol?
The InChIKey is CIVDKNMLFSLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-14(17,4-2)13-15-10-11-16(13)12-8-6-5-7-9-12/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol?
3-(1-cyclohexylimidazol-2-yl)pentan-3-ol has a molecular weight of 236.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylimidazol-2-yl)pentan-3-ol is sourced from PubChem (CID 102490470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).