2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol

C14H18N2O — CID 81432326

IUPAC2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol
SMILESCCC1(c2nc3ccc(O)cc3[nH]2)CCCC1
InChIInChI=1S/C14H18N2O/c1-2-14(7-3-4-8-14)13-15-11-6-5-10(17)9-12(11)16-13/h5-6,9,17H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyHVCRCFKROGBHFJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.49
Rot. Bonds2

About 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol

2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol (PubChem CID 81432326) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol
PubChem CID81432326
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol
SMILESCCC1(c2nc3ccc(O)cc3[nH]2)CCCC1
InChIInChI=1S/C14H18N2O/c1-2-14(7-3-4-8-14)13-15-11-6-5-10(17)9-12(11)16-13/h5-6,9,17H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyHVCRCFKROGBHFJ-UHFFFAOYSA-N
XLogP3.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol (CID 81432326) is 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol is CCC1(c2nc3ccc(O)cc3[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol?
The InChIKey is HVCRCFKROGBHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-14(7-3-4-8-14)13-15-11-6-5-10(17)9-12(11)16-13/h5-6,9,17H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol?
2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol has a molecular weight of 230.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopentyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81432326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).