2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol

C16H26N2O — CID 139663353

IUPAC2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESOC1(Cn2ccnc2)CCCC1CC1CCCCC1
InChIInChI=1S/C16H26N2O/c19-16(12-18-10-9-17-13-18)8-4-7-15(16)11-14-5-2-1-3-6-14/h9-10,13-15,19H,1-8,11-12H2
InChIKeyGIQBHEVVEJUHQU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds4

About 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol

2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 139663353) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID139663353
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESOC1(Cn2ccnc2)CCCC1CC1CCCCC1
InChIInChI=1S/C16H26N2O/c19-16(12-18-10-9-17-13-18)8-4-7-15(16)11-14-5-2-1-3-6-14/h9-10,13-15,19H,1-8,11-12H2
InChIKeyGIQBHEVVEJUHQU-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 139663353) is 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol is OC1(Cn2ccnc2)CCCC1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is GIQBHEVVEJUHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(12-18-10-9-17-13-18)8-4-7-15(16)11-14-5-2-1-3-6-14/h9-10,13-15,19H,1-8,11-12H2.
What are the key properties of 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol?
2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 139663353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).