3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride

C16H21ClN2O2 — CID 177184374

IUPAC3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCC(n2cnc3ccccc32)C1(C)C.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-15(2)13(8-9-16(15,3)14(19)20)18-10-17-11-6-4-5-7-12(11)18;/h4-7,10,13H,8-9H2,1-3H3,(H,19,20);1H
InChIKeyKUTMZUDSFRKCET-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.91
Rot. Bonds2

About 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride

3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 177184374) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
PubChem CID177184374
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCC(n2cnc3ccccc32)C1(C)C.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-15(2)13(8-9-16(15,3)14(19)20)18-10-17-11-6-4-5-7-12(11)18;/h4-7,10,13H,8-9H2,1-3H3,(H,19,20);1H
InChIKeyKUTMZUDSFRKCET-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride (CID 177184374) is 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride is CC1(C(=O)O)CCC(n2cnc3ccccc32)C1(C)C.Cl.
What is the InChIKey of 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is KUTMZUDSFRKCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-15(2)13(8-9-16(15,3)14(19)20)18-10-17-11-6-4-5-7-12(11)18;/h4-7,10,13H,8-9H2,1-3H3,(H,19,20);1H.
What are the key properties of 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride?
3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 177184374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).