trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol

C12H18N2O — CID 102735242

IUPACtrans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1n1cnc2c1CCCC2
InChIInChI=1S/C12H18N2O/c15-12-7-3-6-11(12)14-8-13-9-4-1-2-5-10(9)14/h8,11-12,15H,1-7H2/t11-,12-/m0/s1
InChIKeyCOAPZRZGQAYUBI-RYUDHWBXSA-N
MW206.29 g/mol
LogP1.85
Rot. Bonds1

About trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol (PubChem CID 102735242) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol
PubChem CID102735242
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nametrans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1n1cnc2c1CCCC2
InChIInChI=1S/C12H18N2O/c15-12-7-3-6-11(12)14-8-13-9-4-1-2-5-10(9)14/h8,11-12,15H,1-7H2/t11-,12-/m0/s1
InChIKeyCOAPZRZGQAYUBI-RYUDHWBXSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol (CID 102735242) is trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1n1cnc2c1CCCC2.
What is the InChIKey of trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol?
The InChIKey is COAPZRZGQAYUBI-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-7-3-6-11(12)14-8-13-9-4-1-2-5-10(9)14/h8,11-12,15H,1-7H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102735242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).